3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide

C10H20N2OS — CID 61451186

IUPAC3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide
SMILESCOCCN(C(C)CC(N)=S)C1CC1
InChIInChI=1S/C10H20N2OS/c1-8(7-10(11)14)12(5-6-13-2)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,11,14)
InChIKeyGBLIQCKCDDJTOK-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.16
Rot. Bonds7

About 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide

3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide (PubChem CID 61451186) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide
PubChem CID61451186
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide
SMILESCOCCN(C(C)CC(N)=S)C1CC1
InChIInChI=1S/C10H20N2OS/c1-8(7-10(11)14)12(5-6-13-2)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,11,14)
InChIKeyGBLIQCKCDDJTOK-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
CID 102862712
4-N-cyclopropyl-4-N-(2-methoxyethyl)pentane-2,4-diamine
CID 64706170
4-[cyclopropyl(2-methoxyethyl)amino]pentan-2-ol
CID 64720380
2-[cyclopropyl(2-methoxyethyl)amino]butanamide
CID 62900857
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)cyclopentane-1,3-diamine
CID 79469576
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
CID 62569230
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64711835
3-amino-2-[cyclopropyl(2-methoxyethyl)amino]-4-methoxybutan-1-ol
CID 114356929
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-(3-methoxypropyl)propanamide
CID 54997625
1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine
CID 62362797
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide?
The IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide (CID 61451186) is 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide.
What is the SMILES notation for 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide?
The canonical SMILES for 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide is COCCN(C(C)CC(N)=S)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide?
The InChIKey is GBLIQCKCDDJTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(7-10(11)14)12(5-6-13-2)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide?
3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide has a molecular weight of 216.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide is sourced from PubChem (CID 61451186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).