1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine

C18H30N2O3S — CID 95119925

IUPAC1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine
SMILESCOC(C)(C)C[C@H](C)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O3S/c1-15(14-18(2,3)23-4)19-16-10-12-20(13-11-16)24(21,22)17-8-6-5-7-9-17/h5-9,15-16,19H,10-14H2,1-4H3/t15-/m0/s1
InChIKeyKWBBZCNWBAENRA-HNNXBMFYSA-N
MW354.52 g/mol
LogP2.63
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine

1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine (PubChem CID 95119925) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine
PubChem CID95119925
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine
SMILESCOC(C)(C)C[C@H](C)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O3S/c1-15(14-18(2,3)23-4)19-16-10-12-20(13-11-16)24(21,22)17-8-6-5-7-9-17/h5-9,15-16,19H,10-14H2,1-4H3/t15-/m0/s1
InChIKeyKWBBZCNWBAENRA-HNNXBMFYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74233149
methyl (2R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]propanoate
CID 129352639
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001489
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204027
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine (CID 95119925) is 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine is COC(C)(C)C[C@H](C)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine?
The InChIKey is KWBBZCNWBAENRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-15(14-18(2,3)23-4)19-16-10-12-20(13-11-16)24(21,22)17-8-6-5-7-9-17/h5-9,15-16,19H,10-14H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine?
1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine has a molecular weight of 354.52 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine is sourced from PubChem (CID 95119925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).