N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide

C11H19N3O2S — CID 113481378

IUPACN-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C(=O)NCCNC(=O)C1CC1)C(N)=S
InChIInChI=1S/C11H19N3O2S/c1-11(2,9(12)17)10(16)14-6-5-13-8(15)7-3-4-7/h7H,3-6H2,1-2H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyWKSJKWZNAACCLA-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.06
Rot. Bonds6

About N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113481378) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113481378
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C(=O)NCCNC(=O)C1CC1)C(N)=S
InChIInChI=1S/C11H19N3O2S/c1-11(2,9(12)17)10(16)14-6-5-13-8(15)7-3-4-7/h7H,3-6H2,1-2H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyWKSJKWZNAACCLA-UHFFFAOYSA-N
XLogP-0.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 79401014
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
CID 108571121
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 66952368
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide
CID 108537602
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclopropane-1-carboxamide
CID 115738006
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106277356
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide (CID 113481378) is N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide is CC(C)(C(=O)NCCNC(=O)C1CC1)C(N)=S.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is WKSJKWZNAACCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,9(12)17)10(16)14-6-5-13-8(15)7-3-4-7/h7H,3-6H2,1-2H3,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 257.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).