(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine

C7H17N3O3S — CID 43597188

IUPAC(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
SMILESCO[C@H]1CNCC1NS(=O)(=O)N(C)C
InChIInChI=1S/C7H17N3O3S/c1-10(2)14(11,12)9-6-4-8-5-7(6)13-3/h6-9H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyKDYVSIRYZQGFRR-MLWJPKLSSA-N
MW223.30 g/mol
LogP-1.63
Rot. Bonds4

About (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine

(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine (PubChem CID 43597188) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine.

Molecular Properties

Compound Name(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
PubChem CID43597188
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
SMILESCO[C@H]1CNCC1NS(=O)(=O)N(C)C
InChIInChI=1S/C7H17N3O3S/c1-10(2)14(11,12)9-6-4-8-5-7(6)13-3/h6-9H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyKDYVSIRYZQGFRR-MLWJPKLSSA-N
XLogP-1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine 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

(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
cis-4-Methoxypyrrolidin-3-amine
CID 14457269
1,1,1-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
CID 43597216
1,1,1-trifluoro-N-(4-methoxypyrrolidin-3-yl)methanesulfonamide
CID 74884687
1,1,1-trifluoro-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
CID 93212686
1,1,1-trifluoro-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]methanesulfonamide
CID 96408075
(4S)-4-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 113637325
(3R,4S)-4-methoxypyrrolidin-3-amine
CID 9989247
3-Pyrrolidinamine, 4-methoxy-, (3S,4S)-
CID 10057481
rac-(3R,4S)-4-methoxypyrrolidin-3-amine
CID 10057482
(3R,4S)-4-Methoxy-N-methylpyrrolidin-3-amine
CID 10441730
3-Pyrrolidinamine, 4-methoxy-, (3R,4R)-
CID 10920489

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine?
The IUPAC name of (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine (CID 43597188) is (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine.
What is the SMILES notation for (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine?
The canonical SMILES for (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine is CO[C@H]1CNCC1NS(=O)(=O)N(C)C.
What is the InChIKey of (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine?
The InChIKey is KDYVSIRYZQGFRR-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-10(2)14(11,12)9-6-4-8-5-7(6)13-3/h6-9H,4-5H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine?
(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine has a molecular weight of 223.30 g/mol, XLogP of -1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine is sourced from PubChem (CID 43597188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).