(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C8H19N3O2S — CID 94340197

IUPAC(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C8H19N3O2S/c1-7(2)10(3)14(12,13)11-5-4-8(9)6-11/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyOFDPBMLMKXXCRP-QMMMGPOBSA-N
MW221.33 g/mol
LogP-0.40
Rot. Bonds3

About (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 94340197) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID94340197
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C8H19N3O2S/c1-7(2)10(3)14(12,13)11-5-4-8(9)6-11/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyOFDPBMLMKXXCRP-QMMMGPOBSA-N
XLogP-0.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
CID 130645144
4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 62075219
3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 106672575
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 82700863

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 94340197) is (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is OFDPBMLMKXXCRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-7(2)10(3)14(12,13)11-5-4-8(9)6-11/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 94340197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).