(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide

C14H27N3O3S — CID 94013163

IUPAC(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
SMILESCC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1
InChIInChI=1S/C14H27N3O3S/c1-12-6-9-16(10-7-12)14(18)13-5-4-8-17(11-13)21(19,20)15(2)3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyHDNIWTNJYRUVOV-ZDUSSCGKSA-N
MW317.46 g/mol
LogP0.76
Rot. Bonds3

About (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide

(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide (PubChem CID 94013163) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
PubChem CID94013163
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
SMILESCC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1
InChIInChI=1S/C14H27N3O3S/c1-12-6-9-16(10-7-12)14(18)13-5-4-8-17(11-13)21(19,20)15(2)3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyHDNIWTNJYRUVOV-ZDUSSCGKSA-N
XLogP0.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 94015669
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92679537
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide (CID 94013163) is (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide is CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1.
What is the InChIKey of (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide?
The InChIKey is HDNIWTNJYRUVOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12-6-9-16(10-7-12)14(18)13-5-4-8-17(11-13)21(19,20)15(2)3/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide is sourced from PubChem (CID 94013163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).