4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine

C15H27N5O3S — CID 164640044

IUPAC4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine
SMILESCCCc1cc(N2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)nc(C)n1
InChIInChI=1S/C15H27N5O3S/c1-5-6-12-9-15(17-11(2)16-12)20-8-7-13(14(21)10-20)18-24(22,23)19(3)4/h9,13-14,18,21H,5-8,10H2,1-4H3/t13-,14-/m0/s1
InChIKeyAWMCUCDBDSRLFO-KBPBESRZSA-N
MW357.48 g/mol
LogP0.07
Rot. Bonds6

About 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine

4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine (PubChem CID 164640044) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine.

Molecular Properties

Compound Name4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine
PubChem CID164640044
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine
SMILESCCCc1cc(N2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)nc(C)n1
InChIInChI=1S/C15H27N5O3S/c1-5-6-12-9-15(17-11(2)16-12)20-8-7-13(14(21)10-20)18-24(22,23)19(3)4/h9,13-14,18,21H,5-8,10H2,1-4H3/t13-,14-/m0/s1
InChIKeyAWMCUCDBDSRLFO-KBPBESRZSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine?
The IUPAC name of 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine (CID 164640044) is 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine.
What is the SMILES notation for 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine?
The canonical SMILES for 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine is CCCc1cc(N2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)nc(C)n1.
What is the InChIKey of 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine?
The InChIKey is AWMCUCDBDSRLFO-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-5-6-12-9-15(17-11(2)16-12)20-8-7-13(14(21)10-20)18-24(22,23)19(3)4/h9,13-14,18,21H,5-8,10H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine?
4-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine 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-[(3S,4S)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-2-methyl-6-propylpyrimidine is sourced from PubChem (CID 164640044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).