(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine

C9H21N3O2S — CID 99714412

IUPAC(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
SMILESCC(C)NS(=O)(=O)N[C@@H]1CCNC[C@H]1C
InChIInChI=1S/C9H21N3O2S/c1-7(2)11-15(13,14)12-9-4-5-10-6-8(9)3/h7-12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyCYFRODPMMFYVJO-RKDXNWHRSA-N
MW235.35 g/mol
LogP-0.18
Rot. Bonds4

About (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine

(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine (PubChem CID 99714412) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
PubChem CID99714412
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
SMILESCC(C)NS(=O)(=O)N[C@@H]1CCNC[C@H]1C
InChIInChI=1S/C9H21N3O2S/c1-7(2)11-15(13,14)12-9-4-5-10-6-8(9)3/h7-12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyCYFRODPMMFYVJO-RKDXNWHRSA-N
XLogP-0.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540
2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide
CID 120876535
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135
4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
CID 99920907
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
CID 114806690
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
3,5-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 124516985
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine?
The IUPAC name of (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine (CID 99714412) is (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine?
The canonical SMILES for (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine is CC(C)NS(=O)(=O)N[C@@H]1CCNC[C@H]1C.
What is the InChIKey of (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine?
The InChIKey is CYFRODPMMFYVJO-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-7(2)11-15(13,14)12-9-4-5-10-6-8(9)3/h7-12H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine?
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine has a molecular weight of 235.35 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine is sourced from PubChem (CID 99714412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).