2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine

C16H25NS — CID 64619325

IUPAC2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine
SMILESCC(C)c1ccc(SC2CCCCCC2N)cc1
InChIInChI=1S/C16H25NS/c1-12(2)13-8-10-14(11-9-13)18-16-7-5-3-4-6-15(16)17/h8-12,15-16H,3-7,17H2,1-2H3
InChIKeyRHAQDMFFKXSDRY-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine

2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine (PubChem CID 64619325) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine
PubChem CID64619325
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine
SMILESCC(C)c1ccc(SC2CCCCCC2N)cc1
InChIInChI=1S/C16H25NS/c1-12(2)13-8-10-14(11-9-13)18-16-7-5-3-4-6-15(16)17/h8-12,15-16H,3-7,17H2,1-2H3
InChIKeyRHAQDMFFKXSDRY-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminocyclohexyl)sulfanylaniline
CID 106440974
2-(4-bromophenyl)sulfanylcyclohexan-1-amine
CID 64615583
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
CID 101053357
N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine
CID 64627958
2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
CID 43104678
2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine
CID 64628119
2-(4-propan-2-ylphenyl)oxan-3-amine
CID 79365963
2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64627959
2-(2-aminocyclohexyl)sulfanyl-6-methylaniline
CID 106440999
2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
CID 82499370
2-(4-propan-2-ylphenyl)sulfanylcyclopropane-1-carboxylic acid
CID 117033547

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine?
The IUPAC name of 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine (CID 64619325) is 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine is CC(C)c1ccc(SC2CCCCCC2N)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine?
The InChIKey is RHAQDMFFKXSDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12(2)13-8-10-14(11-9-13)18-16-7-5-3-4-6-15(16)17/h8-12,15-16H,3-7,17H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine?
2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine is sourced from PubChem (CID 64619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).