4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide

C12H18N2O2S — CID 62396330

IUPAC4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CC1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-8-7-12(8)14-9(2)10-3-5-11(6-4-10)17(13,15)16/h3-6,8-9,12,14H,7H2,1-2H3,(H2,13,15,16)
InChIKeyRMLYUHNAMCGCMQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.39
Rot. Bonds4

About 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide

4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide (PubChem CID 62396330) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
PubChem CID62396330
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CC1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-8-7-12(8)14-9(2)10-3-5-11(6-4-10)17(13,15)16/h3-6,8-9,12,14H,7H2,1-2H3,(H2,13,15,16)
InChIKeyRMLYUHNAMCGCMQ-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide (CID 62396330) is 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide is CC(NC1CC1C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide?
The InChIKey is RMLYUHNAMCGCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-7-12(8)14-9(2)10-3-5-11(6-4-10)17(13,15)16/h3-6,8-9,12,14H,7H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide?
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62396330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).