(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine

C14H29N3O2S — CID 72885915

IUPAC(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H]1N(C)C
InChIInChI=1S/C14H29N3O2S/c1-12(2)13-10-17(11-14(13)15(3)4)20(18,19)16-8-6-5-7-9-16/h12-14H,5-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyCQOYDOOCEMJSLM-KGLIPLIRSA-N
MW303.47 g/mol
LogP1.24
Rot. Bonds4

About (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine

(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 72885915) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine
PubChem CID72885915
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H]1N(C)C
InChIInChI=1S/C14H29N3O2S/c1-12(2)13-10-17(11-14(13)15(3)4)20(18,19)16-8-6-5-7-9-16/h12-14H,5-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyCQOYDOOCEMJSLM-KGLIPLIRSA-N
XLogP1.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 72892231
1-[4-(1-chloroethyl)piperidin-1-yl]sulfonylazepane
CID 106839570
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038
(3R,4S)-N-benzyl-3-(dimethylamino)-N-methyl-4-propan-2-ylpyrrolidine-1-sulfonamide
CID 164629694
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 154898078
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 63872906
5-(azepan-1-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211620
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine (CID 72885915) is (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine is CC(C)[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H]1N(C)C.
What is the InChIKey of (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is CQOYDOOCEMJSLM-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12(2)13-10-17(11-14(13)15(3)4)20(18,19)16-8-6-5-7-9-16/h12-14H,5-11H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine?
(3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 303.47 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,N-dimethyl-1-piperidin-1-ylsulfonyl-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 72885915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).