N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide

C11H21N3O2S — CID 54995342

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)CN(CCO)C1CC1
InChIInChI=1S/C11H21N3O2S/c1-13(5-4-10(12)17)11(16)8-14(6-7-15)9-2-3-9/h9,15H,2-8H2,1H3,(H2,12,17)
InChIKeyKESOOVRYCZSZAH-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.42
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide (PubChem CID 54995342) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
PubChem CID54995342
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)CN(CCO)C1CC1
InChIInChI=1S/C11H21N3O2S/c1-13(5-4-10(12)17)11(16)8-14(6-7-15)9-2-3-9/h9,15H,2-8H2,1H3,(H2,12,17)
InChIKeyKESOOVRYCZSZAH-UHFFFAOYSA-N
XLogP-0.42
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632
2-[cyclopropyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 60510071
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545536
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylacetamide
CID 54997633
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
N-(3-amino-3-sulfanylidenepropyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylpropanamide
CID 43648745
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 43290375
N-(3-amino-3-sulfanylidenepropyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylpropanamide
CID 43592093
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
CID 43291123

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide (CID 54995342) is N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide is CN(CCC(N)=S)C(=O)CN(CCO)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide?
The InChIKey is KESOOVRYCZSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-13(5-4-10(12)17)11(16)8-14(6-7-15)9-2-3-9/h9,15H,2-8H2,1H3,(H2,12,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide has a molecular weight of 259.37 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide is sourced from PubChem (CID 54995342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).