2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide

C10H20N2S — CID 65458741

IUPAC2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide
SMILESCC(C)N(CC(N)=S)CC1CCC1
InChIInChI=1S/C10H20N2S/c1-8(2)12(7-10(11)13)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyMRARCFFSQDWANY-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.78
Rot. Bonds5

About 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide

2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide (PubChem CID 65458741) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide
PubChem CID65458741
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide
SMILESCC(C)N(CC(N)=S)CC1CCC1
InChIInChI=1S/C10H20N2S/c1-8(2)12(7-10(11)13)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyMRARCFFSQDWANY-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.78
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

N-(cyclobutylmethyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 121474434
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide
CID 112746946
1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
CID 79396006
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
2-cyclobutylethanethioamide
CID 22140983
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
2-[(4-ethylcyclohexyl)-propan-2-ylamino]ethanethioamide
CID 64749287
2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propan-1-ol
CID 64825818
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide?
The IUPAC name of 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide (CID 65458741) is 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide.
What is the SMILES notation for 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide?
The canonical SMILES for 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide is CC(C)N(CC(N)=S)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide?
The InChIKey is MRARCFFSQDWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)12(7-10(11)13)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide?
2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide has a molecular weight of 200.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide is sourced from PubChem (CID 65458741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).