N-[(3-aminocyclopentyl)methyl]thian-4-amine

C11H22N2S — CID 105468128

IUPACN-[(3-aminocyclopentyl)methyl]thian-4-amine
SMILESNC1CCC(CNC2CCSCC2)C1
InChIInChI=1S/C11H22N2S/c12-10-2-1-9(7-10)8-13-11-3-5-14-6-4-11/h9-11,13H,1-8,12H2
InChIKeyPMBCCSGXTRWMHQ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.60
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]thian-4-amine

N-[(3-aminocyclopentyl)methyl]thian-4-amine (PubChem CID 105468128) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]thian-4-amine
PubChem CID105468128
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-[(3-aminocyclopentyl)methyl]thian-4-amine
SMILESNC1CCC(CNC2CCSCC2)C1
InChIInChI=1S/C11H22N2S/c12-10-2-1-9(7-10)8-13-11-3-5-14-6-4-11/h9-11,13H,1-8,12H2
InChIKeyPMBCCSGXTRWMHQ-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)thian-4-amine
CID 115685592
3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
N-[(3-aminocyclopentyl)methyl]pyrrolidin-3-amine
CID 105440870
N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 105491866
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 104530194
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
CID 79461432
4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 115653911
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
CID 62734121
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]thian-4-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]thian-4-amine (CID 105468128) is N-[(3-aminocyclopentyl)methyl]thian-4-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]thian-4-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]thian-4-amine is NC1CCC(CNC2CCSCC2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]thian-4-amine?
The InChIKey is PMBCCSGXTRWMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-10-2-1-9(7-10)8-13-11-3-5-14-6-4-11/h9-11,13H,1-8,12H2.
What are the key properties of N-[(3-aminocyclopentyl)methyl]thian-4-amine?
N-[(3-aminocyclopentyl)methyl]thian-4-amine has a molecular weight of 214.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]thian-4-amine is sourced from PubChem (CID 105468128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).