N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H24N2OS — CID 66475556

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(C)(NC(=O)C1C(C)(C)C1(C)C)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-7-13(6,10(14)17)15-9(16)8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H2,14,17)(H,15,16)
InChIKeyPEMJGKHIHIEONC-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.24
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66475556) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66475556
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(C)(NC(=O)C1C(C)(C)C1(C)C)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-7-13(6,10(14)17)15-9(16)8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H2,14,17)(H,15,16)
InChIKeyPEMJGKHIHIEONC-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.24
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-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718713
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82984485
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103020321
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107867488
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3,5,5-trimethylhexanamide
CID 61120416
2-(carbamothioylamino)-2-methylbutanoic acid
CID 88920179
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-phenylpropanamide
CID 61121154
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208340
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-(dimethylamino)benzamide
CID 61120770

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66475556) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CCC(C)(NC(=O)C1C(C)(C)C1(C)C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is PEMJGKHIHIEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-7-13(6,10(14)17)15-9(16)8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 2.24, 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-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66475556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).