N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide

C12H22N2OS — CID 114752795

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide
SMILESCCCCCCC(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-5-6-10(15)14-11(12(13)16)9-7-8-9/h9,11H,2-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyUWCDMAAWXIPVMT-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.14
Rot. Bonds8

About N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide (PubChem CID 114752795) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide
PubChem CID114752795
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide
SMILESCCCCCCC(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-5-6-10(15)14-11(12(13)16)9-7-8-9/h9,11H,2-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyUWCDMAAWXIPVMT-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602752
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-butan-2-ylnonanamide
CID 4188803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide (CID 114752795) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide is CCCCCCC(=O)NC(C(N)=S)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide?
The InChIKey is UWCDMAAWXIPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-3-4-5-6-10(15)14-11(12(13)16)9-7-8-9/h9,11H,2-8H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide has a molecular weight of 242.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide is sourced from PubChem (CID 114752795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).