N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide

C10H20N2O2S — CID 103020409

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
SMILESCCC(CC(N)=S)NC(=O)C(C)(C)OC
InChIInChI=1S/C10H20N2O2S/c1-5-7(6-8(11)15)12-9(13)10(2,3)14-4/h7H,5-6H2,1-4H3,(H2,11,15)(H,12,13)
InChIKeyISSAFKSRSLUYLP-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.98
Rot. Bonds6

About N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103020409) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
PubChem CID103020409
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
SMILESCCC(CC(N)=S)NC(=O)C(C)(C)OC
InChIInChI=1S/C10H20N2O2S/c1-5-7(6-8(11)15)12-9(13)10(2,3)14-4/h7H,5-6H2,1-4H3,(H2,11,15)(H,12,13)
InChIKeyISSAFKSRSLUYLP-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020377
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
CID 62651256
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602720
1-(1-amino-1-sulfanylidenepentan-3-yl)-3-ethylurea
CID 62651279
N-(1-amino-1-sulfanylidenepentan-3-yl)-3,5,5-trimethylhexanamide
CID 62651644
3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
CID 103019288
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-ethylhexanamide
CID 62651275
diethyl 2-[(2-methoxy-2-methylpropanoyl)amino]propanedioate
CID 103021733
(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 103018390
N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide
CID 62651450
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methylsulfonylpropanamide
CID 104519401

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide (CID 103020409) is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide is CCC(CC(N)=S)NC(=O)C(C)(C)OC.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is ISSAFKSRSLUYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-5-7(6-8(11)15)12-9(13)10(2,3)14-4/h7H,5-6H2,1-4H3,(H2,11,15)(H,12,13).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 232.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).