2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide

C10H20N2OS — CID 114949527

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide
SMILESCC(C(N)=S)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H20N2OS/c1-8(9(11)14)12(2)7-10(13)5-3-4-6-10/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyYYZOPWQJUSGZRI-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.90
Rot. Bonds4

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide

2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide (PubChem CID 114949527) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide
PubChem CID114949527
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide
SMILESCC(C(N)=S)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H20N2OS/c1-8(9(11)14)12(2)7-10(13)5-3-4-6-10/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyYYZOPWQJUSGZRI-UHFFFAOYSA-N
XLogP0.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 115758525
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 115758694
1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol
CID 114948519
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 114950447
3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 114949780
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
1-[[[2-amino-1-(furan-2-yl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947988
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952468
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethyl-3-sulfanylidenepropanamide
CID 114949415

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide (CID 114949527) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide is CC(C(N)=S)N(C)CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide?
The InChIKey is YYZOPWQJUSGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(9(11)14)12(2)7-10(13)5-3-4-6-10/h8,13H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide?
2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide has a molecular weight of 216.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide is sourced from PubChem (CID 114949527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).