N-(furan-3-ylmethyl)thian-4-amine

C10H15NOS — CID 115585258

IUPACN-(furan-3-ylmethyl)thian-4-amine
SMILESc1cc(CNC2CCSCC2)co1
InChIInChI=1S/C10H15NOS/c1-4-12-8-9(1)7-11-10-2-5-13-6-3-10/h1,4,8,10-11H,2-3,5-7H2
InChIKeyDHFWLBNBDUZVPS-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.26
Rot. Bonds3

About N-(furan-3-ylmethyl)thian-4-amine

N-(furan-3-ylmethyl)thian-4-amine (PubChem CID 115585258) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)thian-4-amine
PubChem CID115585258
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(furan-3-ylmethyl)thian-4-amine
SMILESc1cc(CNC2CCSCC2)co1
InChIInChI=1S/C10H15NOS/c1-4-12-8-9(1)7-11-10-2-5-13-6-3-10/h1,4,8,10-11H,2-3,5-7H2
InChIKeyDHFWLBNBDUZVPS-UHFFFAOYSA-N
XLogP2.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
N-(furan-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115711462
3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115677937
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]acetonitrile;hydrochloride
CID 115617505
N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
CID 104587739
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
N-(furan-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 63204890
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
N-(1,2-oxazol-3-ylmethyl)thian-4-amine
CID 79496113

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)thian-4-amine?
The IUPAC name of N-(furan-3-ylmethyl)thian-4-amine (CID 115585258) is N-(furan-3-ylmethyl)thian-4-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)thian-4-amine?
The canonical SMILES for N-(furan-3-ylmethyl)thian-4-amine is c1cc(CNC2CCSCC2)co1.
What is the InChIKey of N-(furan-3-ylmethyl)thian-4-amine?
The InChIKey is DHFWLBNBDUZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-12-8-9(1)7-11-10-2-5-13-6-3-10/h1,4,8,10-11H,2-3,5-7H2.
What are the key properties of N-(furan-3-ylmethyl)thian-4-amine?
N-(furan-3-ylmethyl)thian-4-amine has a molecular weight of 197.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)thian-4-amine is sourced from PubChem (CID 115585258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).