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

C12H25N3O3S — CID 43597164

IUPAC(4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
SMILESCO[C@H]1CNCC1NS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-15(10-6-4-3-5-7-10)19(16,17)14-11-8-13-9-12(11)18-2/h10-14H,3-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyIUAOUEXVQRYVDC-KIYNQFGBSA-N
MW291.42 g/mol
LogP0.07
Rot. Bonds5

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

(4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine (PubChem CID 43597164) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine.

Molecular Properties

Compound Name(4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
PubChem CID43597164
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
SMILESCO[C@H]1CNCC1NS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-15(10-6-4-3-5-7-10)19(16,17)14-11-8-13-9-12(11)18-2/h10-14H,3-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyIUAOUEXVQRYVDC-KIYNQFGBSA-N
XLogP0.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
The IUPAC name of (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine (CID 43597164) is (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine.
What is the SMILES notation for (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
The canonical SMILES for (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine is CO[C@H]1CNCC1NS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
The InChIKey is IUAOUEXVQRYVDC-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-15(10-6-4-3-5-7-10)19(16,17)14-11-8-13-9-12(11)18-2/h10-14H,3-9H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine?
(4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine has a molecular weight of 291.42 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine is sourced from PubChem (CID 43597164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).