N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide

C14H22N2OS — CID 119498074

IUPACN-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(N)CCNC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C14H22N2OS/c1-10(2)18-13-7-5-4-6-12(13)14(17)16-9-8-11(3)15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyOIKQIXYACCNGBN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.65
Rot. Bonds6

About N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide

N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 119498074) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
PubChem CID119498074
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(N)CCNC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C14H22N2OS/c1-10(2)18-13-7-5-4-6-12(13)14(17)16-9-8-11(3)15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyOIKQIXYACCNGBN-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 119642500
N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 51151939
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-(3-aminobutyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119496904
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
CID 51091605
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 55611498

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide (CID 119498074) is N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide is CC(N)CCNC(=O)c1ccccc1SC(C)C.
What is the InChIKey of N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is OIKQIXYACCNGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)18-13-7-5-4-6-12(13)14(17)16-9-8-11(3)15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide?
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 266.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 119498074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).