4-(cyclopentylmethyl)thian-3-amine

C11H21NS — CID 84775465

IUPAC4-(cyclopentylmethyl)thian-3-amine
SMILESNC1CSCCC1CC1CCCC1
InChIInChI=1S/C11H21NS/c12-11-8-13-6-5-10(11)7-9-3-1-2-4-9/h9-11H,1-8,12H2
InChIKeyGXTZXOVWFOQLHL-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.65
Rot. Bonds2

About 4-(cyclopentylmethyl)thian-3-amine

4-(cyclopentylmethyl)thian-3-amine (PubChem CID 84775465) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)thian-3-amine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)thian-3-amine
PubChem CID84775465
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-(cyclopentylmethyl)thian-3-amine
SMILESNC1CSCCC1CC1CCCC1
InChIInChI=1S/C11H21NS/c12-11-8-13-6-5-10(11)7-9-3-1-2-4-9/h9-11H,1-8,12H2
InChIKeyGXTZXOVWFOQLHL-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butylthian-3-amine
CID 84766556
4-(cyclohexylmethyl)piperidin-3-amine
CID 84774080
1-(3-aminothian-4-yl)propan-2-one
CID 115014220
thiepan-3-amine
CID 14594138
2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 118512121
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
methyl 2-(3-aminothian-4-yl)acetate
CID 84662262
3-cyclohexylthian-4-amine
CID 82397575
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174
[2-(cyclohexylmethyl)cycloheptyl]methanamine
CID 81011169
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
cyclopentadecylmethylcyclopentadecane
CID 91804599

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)thian-3-amine?
The IUPAC name of 4-(cyclopentylmethyl)thian-3-amine (CID 84775465) is 4-(cyclopentylmethyl)thian-3-amine.
What is the SMILES notation for 4-(cyclopentylmethyl)thian-3-amine?
The canonical SMILES for 4-(cyclopentylmethyl)thian-3-amine is NC1CSCCC1CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethyl)thian-3-amine?
The InChIKey is GXTZXOVWFOQLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c12-11-8-13-6-5-10(11)7-9-3-1-2-4-9/h9-11H,1-8,12H2.
What are the key properties of 4-(cyclopentylmethyl)thian-3-amine?
4-(cyclopentylmethyl)thian-3-amine has a molecular weight of 199.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)thian-3-amine is sourced from PubChem (CID 84775465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).