(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine

C6H15N3O2S — CID 122625851

IUPAC(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
SMILESC[C@@H]1CN[C@H](CNS(N)(=O)=O)C1
InChIInChI=1S/C6H15N3O2S/c1-5-2-6(8-3-5)4-9-12(7,10)11/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11)/t5-,6-/m0/s1
InChIKeyDPJDKFVRJQHISL-WDSKDSINSA-N
MW193.27 g/mol
LogP-1.22
Rot. Bonds3

About (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine

(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine (PubChem CID 122625851) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
PubChem CID122625851
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
SMILESC[C@@H]1CN[C@H](CNS(N)(=O)=O)C1
InChIInChI=1S/C6H15N3O2S/c1-5-2-6(8-3-5)4-9-12(7,10)11/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11)/t5-,6-/m0/s1
InChIKeyDPJDKFVRJQHISL-WDSKDSINSA-N
XLogP-1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R*,4S*)-3-amino-N-ethyl-N-methyl-4-propyl-1-pyrrolidinesulfonamide
CID 72885954
1-[(2S,4S)-4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 132355566
1-[(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 132355567
(2S,4S)-4-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 132355570
2-[(Sulfamoylamino)methyl]pyrrolidine
CID 17949115
4-Methyl-2-(2-piperidin-4-ylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434878
2-[2-(4-Piperidyl)ethyl]-4-methyl-1,2,5-thiadiazolidine-1,1-dioxide
CID 20434886
2-[2-(4-Piperidyl)ethyl]-3-methyl-1,2,5-thiadiazolidine-1,1-dioxide
CID 20434889
2-(1-Piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434925
2-[1-(Sulfamoylamino)ethyl]pyrrolidine
CID 20514516
(4R)-2-(2-methylpropyl)-4-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57765394
(4S)-2-(2-methylpropyl)-4-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57765449

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
The IUPAC name of (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine (CID 122625851) is (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine.
What is the SMILES notation for (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
The canonical SMILES for (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine is C[C@@H]1CN[C@H](CNS(N)(=O)=O)C1.
What is the InChIKey of (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
The InChIKey is DPJDKFVRJQHISL-WDSKDSINSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-5-2-6(8-3-5)4-9-12(7,10)11/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine is sourced from PubChem (CID 122625851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).