methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate

C15H21N3O4S — CID 124880624

IUPACmethyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCNC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-22-15(19)17-11-2-6-14(7-3-11)23(20,21)18(12-4-5-12)13-8-9-16-10-13/h2-3,6-7,12-13,16H,4-5,8-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyDCKKGVOJRUSYGP-ZDUSSCGKSA-N
MW339.42 g/mol
LogP1.38
Rot. Bonds5

About methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate

methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate (PubChem CID 124880624) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate
PubChem CID124880624
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Namemethyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCNC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-22-15(19)17-11-2-6-14(7-3-11)23(20,21)18(12-4-5-12)13-8-9-16-10-13/h2-3,6-7,12-13,16H,4-5,8-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyDCKKGVOJRUSYGP-ZDUSSCGKSA-N
XLogP1.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate (CID 124880624) is methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCNC2)cc1.
What is the InChIKey of methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate?
The InChIKey is DCKKGVOJRUSYGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-22-15(19)17-11-2-6-14(7-3-11)23(20,21)18(12-4-5-12)13-8-9-16-10-13/h2-3,6-7,12-13,16H,4-5,8-10H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate?
methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate has a molecular weight of 339.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[cyclopropyl-[(3S)-pyrrolidin-3-yl]sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 124880624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).