4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine

C15H27N5O3S — CID 118765711

IUPAC4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)n1
InChIInChI=1S/C15H27N5O3S/c1-11(2)15-16-7-5-12(17-15)9-20-8-6-13(14(21)10-20)18-24(22,23)19(3)4/h5,7,11,13-14,18,21H,6,8-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyDBILYVMQYCKNRS-ZIAGYGMSSA-N
MW357.48 g/mol
LogP-0.07
Rot. Bonds6

About 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine

4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine (PubChem CID 118765711) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
PubChem CID118765711
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)n1
InChIInChI=1S/C15H27N5O3S/c1-11(2)15-16-7-5-12(17-15)9-20-8-6-13(14(21)10-20)18-24(22,23)19(3)4/h5,7,11,13-14,18,21H,6,8-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyDBILYVMQYCKNRS-ZIAGYGMSSA-N
XLogP-0.07
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine with MolForge

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Related Compounds

(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 118760807
N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785578
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118762309
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
2-(dimethylamino)-4-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-6-ethylpyrimidine
CID 118768707
(3R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785716
4-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-oxazepane-6-carboxylic acid
CID 138377685
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
(4aS,8aR)-1-(3-hydroxypropyl)-6-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70709080
2-[5-[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126447477
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepan-5-one
CID 56870343

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine (CID 118765711) is 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)n1.
What is the InChIKey of 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The InChIKey is DBILYVMQYCKNRS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-11(2)15-16-7-5-12(17-15)9-20-8-6-13(14(21)10-20)18-24(22,23)19(3)4/h5,7,11,13-14,18,21H,6,8-10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine has a molecular weight of 357.48 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 118765711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).