N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide

C11H20N2OS — CID 83155013

IUPACN-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCCCC(N)=S)C1CC1
InChIInChI=1S/C11H20N2OS/c1-8(9-5-6-9)11(14)13-7-3-2-4-10(12)15/h8-9H,2-7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyJTIIUEFFBBHDGP-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.61
Rot. Bonds7

About N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide

N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide (PubChem CID 83155013) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
PubChem CID83155013
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCCCC(N)=S)C1CC1
InChIInChI=1S/C11H20N2OS/c1-8(9-5-6-9)11(14)13-7-3-2-4-10(12)15/h8-9H,2-7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyJTIIUEFFBBHDGP-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.61
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-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-butyl-2-cyclopentylpropanamide
CID 173178636
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
CID 109468079

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide (CID 83155013) is N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide is CC(C(=O)NCCCCC(N)=S)C1CC1.
What is the InChIKey of N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide?
The InChIKey is JTIIUEFFBBHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(9-5-6-9)11(14)13-7-3-2-4-10(12)15/h8-9H,2-7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide?
N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide has a molecular weight of 228.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83155013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).