N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide

C15H25N3O2S — CID 62979062

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-12(16-2)13-4-8-15(9-5-13)21(19,20)17-10-11-18(3)14-6-7-14/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3
InChIKeyPFQYWNRTKISIBD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.34
Rot. Bonds8

About N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 62979062) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID62979062
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-12(16-2)13-4-8-15(9-5-13)21(19,20)17-10-11-18(3)14-6-7-14/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3
InChIKeyPFQYWNRTKISIBD-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide (CID 62979062) is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is PFQYWNRTKISIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(16-2)13-4-8-15(9-5-13)21(19,20)17-10-11-18(3)14-6-7-14/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62979062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).