N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C19H29N3O3S — CID 119567689

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESNCC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCCC1
InChIInChI=1S/C19H29N3O3S/c20-14-19(10-3-4-11-19)22-18(23)9-12-21-26(24,25)17-8-7-15-5-1-2-6-16(15)13-17/h7-8,13,21H,1-6,9-12,14,20H2,(H,22,23)
InChIKeyBVAXAQXTZIQWHU-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.62
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 119567689) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID119567689
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESNCC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCCC1
InChIInChI=1S/C19H29N3O3S/c20-14-19(10-3-4-11-19)22-18(23)9-12-21-26(24,25)17-8-7-15-5-1-2-6-16(15)13-17/h7-8,13,21H,1-6,9-12,14,20H2,(H,22,23)
InChIKeyBVAXAQXTZIQWHU-UHFFFAOYSA-N
XLogP1.62
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119564864
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119565883
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[1-(aminomethyl)cyclopentyl]-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119567663
N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 35984118
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953193
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55975923
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24544389
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 119567689) is N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is NCC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is BVAXAQXTZIQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c20-14-19(10-3-4-11-19)22-18(23)9-12-21-26(24,25)17-8-7-15-5-1-2-6-16(15)13-17/h7-8,13,21H,1-6,9-12,14,20H2,(H,22,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 379.53 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 119567689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).