N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide

C10H18N2OS — CID 83154806

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NC(C)(C)C(N)=S)C1CC1
InChIInChI=1S/C10H18N2OS/c1-6(7-4-5-7)8(13)12-10(2,3)9(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyGFARSVPIQPQFNT-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.21
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide (PubChem CID 83154806) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
PubChem CID83154806
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NC(C)(C)C(N)=S)C1CC1
InChIInChI=1S/C10H18N2OS/c1-6(7-4-5-7)8(13)12-10(2,3)9(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyGFARSVPIQPQFNT-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylpropanamide
CID 81479173
(2-cyclopropylpropanoylamino)urea
CID 83150747
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195
N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide
CID 106164689
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide
CID 83136109
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide (CID 83154806) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide is CC(C(=O)NC(C)(C)C(N)=S)C1CC1.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide?
The InChIKey is GFARSVPIQPQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-6(7-4-5-7)8(13)12-10(2,3)9(11)14/h6-7H,4-5H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide has a molecular weight of 214.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83154806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).