N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine

C14H19NS — CID 103739395

IUPACN-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
SMILESc1ccc(C2CC2)c(CNC2CCSC2)c1
InChIInChI=1S/C14H19NS/c1-2-4-14(11-5-6-11)12(3-1)9-15-13-7-8-16-10-13/h1-4,11,13,15H,5-10H2
InChIKeyWJUWCKROTJXATI-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.16
Rot. Bonds4

About N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine

N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine (PubChem CID 103739395) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
PubChem CID103739395
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
SMILESc1ccc(C2CC2)c(CNC2CCSC2)c1
InChIInChI=1S/C14H19NS/c1-2-4-14(11-5-6-11)12(3-1)9-15-13-7-8-16-10-13/h1-4,11,13,15H,5-10H2
InChIKeyWJUWCKROTJXATI-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine
CID 79889980
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
2-[(thian-4-ylamino)methyl]phenol
CID 115603400
N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
CID 115714524
N-[(2-pyrazol-1-ylphenyl)methyl]thiolan-3-amine
CID 61168288
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
N-[(2-bromo-5-chlorophenyl)methyl]thiolan-3-amine
CID 103707744
N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine
CID 131089862
(3R)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiolan-3-amine
CID 95135165
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine (CID 103739395) is N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine is c1ccc(C2CC2)c(CNC2CCSC2)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine?
The InChIKey is WJUWCKROTJXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-4-14(11-5-6-11)12(3-1)9-15-13-7-8-16-10-13/h1-4,11,13,15H,5-10H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine?
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 103739395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).