(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine

C10H23N3O3S — CID 43597218

IUPAC(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
SMILESCCCCN(C)S(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C10H23N3O3S/c1-4-5-6-13(2)17(14,15)12-9-7-11-8-10(9)16-3/h9-12H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyWLPYBGWUGOZKIY-AXDSSHIGSA-N
MW265.38 g/mol
LogP-0.46
Rot. Bonds7

About (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine

(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine (PubChem CID 43597218) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine.

Molecular Properties

Compound Name(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
PubChem CID43597218
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
SMILESCCCCN(C)S(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C10H23N3O3S/c1-4-5-6-13(2)17(14,15)12-9-7-11-8-10(9)16-3/h9-12H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyWLPYBGWUGOZKIY-AXDSSHIGSA-N
XLogP-0.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
cis-4-Methoxypyrrolidin-3-amine
CID 14457269
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 79594310
(4S)-4-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 113637325
(2S,4S)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 132399150
(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
(3S,4S)-4-Methoxy-N-methyl-3-pyrrolidinamine
CID 11126291
(3S,4R)-4-Methoxy-N-methylpyrrolidin-3-amine
CID 11819109

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
The IUPAC name of (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine (CID 43597218) is (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine.
What is the SMILES notation for (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
The canonical SMILES for (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine is CCCCN(C)S(=O)(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
The InChIKey is WLPYBGWUGOZKIY-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-5-6-13(2)17(14,15)12-9-7-11-8-10(9)16-3/h9-12H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine has a molecular weight of 265.38 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine is sourced from PubChem (CID 43597218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).