4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide

C15H24N2O3S — CID 103911415

IUPAC4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCOC1CCCC(NC(C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-11(17-13-4-3-5-14(10-13)20-2)12-6-8-15(9-7-12)21(16,18)19/h6-9,11,13-14,17H,3-5,10H2,1-2H3,(H2,16,18,19)
InChIKeyXGZUIZJBIFTCMK-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.94
Rot. Bonds5

About 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide

4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 103911415) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID103911415
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCOC1CCCC(NC(C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-11(17-13-4-3-5-14(10-13)20-2)12-6-8-15(9-7-12)21(16,18)19/h6-9,11,13-14,17H,3-5,10H2,1-2H3,(H2,16,18,19)
InChIKeyXGZUIZJBIFTCMK-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide (CID 103911415) is 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide is COC1CCCC(NC(C)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is XGZUIZJBIFTCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(17-13-4-3-5-14(10-13)20-2)12-6-8-15(9-7-12)21(16,18)19/h6-9,11,13-14,17H,3-5,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103911415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).