(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine

C14H21F2N3O2S — CID 95322592

IUPAC(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H21F2N3O2S/c1-18(2)22(20,21)17-11-5-4-8-19(9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,4-5,8-10H2,1-2H3/t11-/m1/s1
InChIKeyBKIXXFWHDWTDKO-LLVKDONJSA-N
MW333.40 g/mol
LogP1.33
Rot. Bonds5

About (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine

(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine (PubChem CID 95322592) has the molecular formula C14H21F2N3O2S and a molecular weight of 333.40 g/mol. Its IUPAC name is (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine.

Molecular Properties

Compound Name(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
PubChem CID95322592
Molecular FormulaC14H21F2N3O2S
Molecular Weight333.40 g/mol
Exact Mass333.13
IUPAC Name(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H21F2N3O2S/c1-18(2)22(20,21)17-11-5-4-8-19(9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,4-5,8-10H2,1-2H3/t11-/m1/s1
InChIKeyBKIXXFWHDWTDKO-LLVKDONJSA-N
XLogP1.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
(3R)-3-[[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]amino]-N,N-dimethylbutanamide
CID 97231897
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 86817506
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 119128794
2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883983
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
CID 56787135
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine?
The IUPAC name of (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine (CID 95322592) is (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine.
What is the SMILES notation for (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine?
The canonical SMILES for (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine is CN(C)S(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine?
The InChIKey is BKIXXFWHDWTDKO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21F2N3O2S/c1-18(2)22(20,21)17-11-5-4-8-19(9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,4-5,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine?
(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine has a molecular weight of 333.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine is sourced from PubChem (CID 95322592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).