3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine

C9H21N3O2S — CID 80563123

IUPAC3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
SMILESCC(C)N(C)S(=O)(=O)NCC1CCNC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)12(3)15(13,14)11-7-9-4-5-10-6-9/h8-11H,4-7H2,1-3H3
InChIKeyVNJKZAVBKNYYOB-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.23
Rot. Bonds5

About 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine

3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine (PubChem CID 80563123) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
PubChem CID80563123
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
SMILESCC(C)N(C)S(=O)(=O)NCC1CCNC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)12(3)15(13,14)11-7-9-4-5-10-6-9/h8-11H,4-7H2,1-3H3
InChIKeyVNJKZAVBKNYYOB-UHFFFAOYSA-N
XLogP-0.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine
CID 119968280
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
3-[[[2-methoxyethyl(methyl)sulfamoyl]amino]methyl]piperidine;hydrochloride
CID 119968655
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
3-[2-[[ethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119977011
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
CID 80563346
3-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119976912
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394

Frequently Asked Questions

What is the IUPAC name of 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
The IUPAC name of 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine (CID 80563123) is 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine.
What is the SMILES notation for 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
The canonical SMILES for 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine is CC(C)N(C)S(=O)(=O)NCC1CCNC1.
What is the InChIKey of 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
The InChIKey is VNJKZAVBKNYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)12(3)15(13,14)11-7-9-4-5-10-6-9/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine is sourced from PubChem (CID 80563123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).