(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide

C18H27N3O5S — CID 52539738

IUPAC(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C1
InChIInChI=1S/C18H27N3O5S/c1-27(23,24)20-15-6-3-9-21(12-15)18(22)19-14-5-2-7-16(11-14)26-13-17-8-4-10-25-17/h2,5,7,11,15,17,20H,3-4,6,8-10,12-13H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyJNKBGLVDZTTWBZ-DOTOQJQBSA-N
MW397.50 g/mol
LogP1.79
Rot. Bonds6

About (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide

(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide (PubChem CID 52539738) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide
PubChem CID52539738
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C1
InChIInChI=1S/C18H27N3O5S/c1-27(23,24)20-15-6-3-9-21(12-15)18(22)19-14-5-2-7-16(11-14)26-13-17-8-4-10-25-17/h2,5,7,11,15,17,20H,3-4,6,8-10,12-13H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyJNKBGLVDZTTWBZ-DOTOQJQBSA-N
XLogP1.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
(3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 52504309
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide (CID 52539738) is (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide is CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C1.
What is the InChIKey of (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide?
The InChIKey is JNKBGLVDZTTWBZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-27(23,24)20-15-6-3-9-21(12-15)18(22)19-14-5-2-7-16(11-14)26-13-17-8-4-10-25-17/h2,5,7,11,15,17,20H,3-4,6,8-10,12-13H2,1H3,(H,19,22)/t15-,17+/m0/s1.
What are the key properties of (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide?
(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 52539738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).