[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol

C12H25NS2 — CID 112667563

IUPAC[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol
SMILESCSCC(C)N(C)CC1(CS)CCCC1
InChIInChI=1S/C12H25NS2/c1-11(8-15-3)13(2)9-12(10-14)6-4-5-7-12/h11,14H,4-10H2,1-3H3
InChIKeyHCQIJZIUHVAXBW-UHFFFAOYSA-N
MW247.47 g/mol
LogP3.16
Rot. Bonds6

About [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol

[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol (PubChem CID 112667563) has the molecular formula C12H25NS2 and a molecular weight of 247.47 g/mol. Its IUPAC name is [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol
PubChem CID112667563
Molecular FormulaC12H25NS2
Molecular Weight247.47 g/mol
Exact Mass247.14
IUPAC Name[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol
SMILESCSCC(C)N(C)CC1(CS)CCCC1
InChIInChI=1S/C12H25NS2/c1-11(8-15-3)13(2)9-12(10-14)6-4-5-7-12/h11,14H,4-10H2,1-3H3
InChIKeyHCQIJZIUHVAXBW-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol?
The IUPAC name of [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol (CID 112667563) is [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol.
What is the SMILES notation for [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol?
The canonical SMILES for [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol is CSCC(C)N(C)CC1(CS)CCCC1.
What is the InChIKey of [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol?
The InChIKey is HCQIJZIUHVAXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS2/c1-11(8-15-3)13(2)9-12(10-14)6-4-5-7-12/h11,14H,4-10H2,1-3H3.
What are the key properties of [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol?
[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol has a molecular weight of 247.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopentyl]methanethiol is sourced from PubChem (CID 112667563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).