N-(3-phenylbutyl)thian-3-amine

C15H23NS — CID 62988894

IUPACN-(3-phenylbutyl)thian-3-amine
SMILESCC(CCNC1CCCSC1)c1ccccc1
InChIInChI=1S/C15H23NS/c1-13(14-6-3-2-4-7-14)9-10-16-15-8-5-11-17-12-15/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyGTROFKBBIGNTPF-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.67
Rot. Bonds5

About N-(3-phenylbutyl)thian-3-amine

N-(3-phenylbutyl)thian-3-amine (PubChem CID 62988894) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(3-phenylbutyl)thian-3-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)thian-3-amine
PubChem CID62988894
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(3-phenylbutyl)thian-3-amine
SMILESCC(CCNC1CCCSC1)c1ccccc1
InChIInChI=1S/C15H23NS/c1-13(14-6-3-2-4-7-14)9-10-16-15-8-5-11-17-12-15/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyGTROFKBBIGNTPF-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
1,1-dioxo-N-(3-phenylbutyl)thian-3-amine
CID 63922445
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
N-(4-methylpentyl)thian-3-amine
CID 62871286
4-[4-(cyclobutylamino)butan-2-yl]aniline
CID 104501639
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
CID 139827959
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
CID 81333598
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)thian-3-amine?
The IUPAC name of N-(3-phenylbutyl)thian-3-amine (CID 62988894) is N-(3-phenylbutyl)thian-3-amine.
What is the SMILES notation for N-(3-phenylbutyl)thian-3-amine?
The canonical SMILES for N-(3-phenylbutyl)thian-3-amine is CC(CCNC1CCCSC1)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)thian-3-amine?
The InChIKey is GTROFKBBIGNTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-13(14-6-3-2-4-7-14)9-10-16-15-8-5-11-17-12-15/h2-4,6-7,13,15-16H,5,8-12H2,1H3.
What are the key properties of N-(3-phenylbutyl)thian-3-amine?
N-(3-phenylbutyl)thian-3-amine has a molecular weight of 249.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)thian-3-amine is sourced from PubChem (CID 62988894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).