N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride

C15H26ClN3O3S2 — CID 119665150

IUPACN-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN1S(=O)(=O)c1cccs1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-2-3-6-12(11-16)17-15(19)13-7-4-9-18(13)23(20,21)14-8-5-10-22-14;/h5,8,10,12-13H,2-4,6-7,9,11,16H2,1H3,(H,17,19);1H
InChIKeyVQHDSZDYUQUMTC-UHFFFAOYSA-N
MW395.98 g/mol
LogP1.96
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119665150) has the molecular formula C15H26ClN3O3S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119665150
Molecular FormulaC15H26ClN3O3S2
Molecular Weight395.98 g/mol
Exact Mass395.11
IUPAC NameN-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN1S(=O)(=O)c1cccs1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-2-3-6-12(11-16)17-15(19)13-7-4-9-18(13)23(20,21)14-8-5-10-22-14;/h5,8,10,12-13H,2-4,6-7,9,11,16H2,1H3,(H,17,19);1H
InChIKeyVQHDSZDYUQUMTC-UHFFFAOYSA-N
XLogP1.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 119363680
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
[3-(aminomethyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone;hydrochloride
CID 119483565
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
CID 7614852
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119667208

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride (CID 119665150) is N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CCCN1S(=O)(=O)c1cccs1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VQHDSZDYUQUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2.ClH/c1-2-3-6-12(11-16)17-15(19)13-7-4-9-18(13)23(20,21)14-8-5-10-22-14;/h5,8,10,12-13H,2-4,6-7,9,11,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119665150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).