3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide

C18H38N4O4S2 — CID 57066966

IUPAC3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide
SMILESCS(=O)(=O)NC(CCC1(CN)CCCC1)S(=O)(=O)NCCC1(CN)CCCC1
InChIInChI=1S/C18H38N4O4S2/c1-27(23,24)22-16(6-11-17(14-19)7-2-3-8-17)28(25,26)21-13-12-18(15-20)9-4-5-10-18/h16,21-22H,2-15,19-20H2,1H3
InChIKeyUTWBQKOQRVNHAK-UHFFFAOYSA-N
MW438.66 g/mol
LogP0.99
Rot. Bonds12

About 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide

3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide (PubChem CID 57066966) has the molecular formula C18H38N4O4S2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide
PubChem CID57066966
Molecular FormulaC18H38N4O4S2
Molecular Weight438.66 g/mol
Exact Mass438.23
IUPAC Name3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide
SMILESCS(=O)(=O)NC(CCC1(CN)CCCC1)S(=O)(=O)NCCC1(CN)CCCC1
InChIInChI=1S/C18H38N4O4S2/c1-27(23,24)22-16(6-11-17(14-19)7-2-3-8-17)28(25,26)21-13-12-18(15-20)9-4-5-10-18/h16,21-22H,2-15,19-20H2,1H3
InChIKeyUTWBQKOQRVNHAK-UHFFFAOYSA-N
XLogP0.99
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-ethyl-4-[(octylsulfonylamino)methyl]octyl]octane-1-sulfonamide
CID 20789894
3-[1-(aminomethyl)cyclohexyl]-N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide
CID 57221543
[1-(aminomethyl)-3,4-dimethylcyclopentyl]-[[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methylsulfonylamino]methanesulfonamide
CID 69973343

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide (CID 57066966) is 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide is CS(=O)(=O)NC(CCC1(CN)CCCC1)S(=O)(=O)NCCC1(CN)CCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide?
The InChIKey is UTWBQKOQRVNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O4S2/c1-27(23,24)22-16(6-11-17(14-19)7-2-3-8-17)28(25,26)21-13-12-18(15-20)9-4-5-10-18/h16,21-22H,2-15,19-20H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide?
3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide has a molecular weight of 438.66 g/mol, XLogP of 0.99, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]-N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1-(methanesulfonamido)propane-1-sulfonamide is sourced from PubChem (CID 57066966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).