2-[cyclopentyl(ethyl)amino]ethanethioamide

C9H18N2S — CID 43541169

IUPAC2-[cyclopentyl(ethyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)C1CCCC1
InChIInChI=1S/C9H18N2S/c1-2-11(7-9(10)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyBWCMEXJOTPPCGP-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.54
Rot. Bonds4

About 2-[cyclopentyl(ethyl)amino]ethanethioamide

2-[cyclopentyl(ethyl)amino]ethanethioamide (PubChem CID 43541169) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]ethanethioamide
PubChem CID43541169
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-[cyclopentyl(ethyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)C1CCCC1
InChIInChI=1S/C9H18N2S/c1-2-11(7-9(10)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyBWCMEXJOTPPCGP-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
CID 114191209
1-cyclopentyl-1-ethylthiourea
CID 43541105
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
CID 82851165
N,N-diethylcycloundecanamine
CID 163828609
N,N-diethylcyclobutanamine;ethane
CID 170746144
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
CID 103002660
2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
CID 114808448
3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
2-[cyclopentyl-[(3,4-difluorophenyl)methyl]amino]ethanethioamide
CID 82919269

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]ethanethioamide (CID 43541169) is 2-[cyclopentyl(ethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]ethanethioamide is CCN(CC(N)=S)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]ethanethioamide?
The InChIKey is BWCMEXJOTPPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-11(7-9(10)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-[cyclopentyl(ethyl)amino]ethanethioamide?
2-[cyclopentyl(ethyl)amino]ethanethioamide has a molecular weight of 186.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]ethanethioamide is sourced from PubChem (CID 43541169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).