N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide

C9H16N2O2S — CID 107035440

IUPACN-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CCS)NCCNC(=O)C1CC1
InChIInChI=1S/C9H16N2O2S/c12-8(3-6-14)10-4-5-11-9(13)7-1-2-7/h7,14H,1-6H2,(H,10,12)(H,11,13)
InChIKeyQZPRHVXEJLIUSX-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.05
Rot. Bonds6

About N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide

N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide (PubChem CID 107035440) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
PubChem CID107035440
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CCS)NCCNC(=O)C1CC1
InChIInChI=1S/C9H16N2O2S/c12-8(3-6-14)10-4-5-11-9(13)7-1-2-7/h7,14H,1-6H2,(H,10,12)(H,11,13)
InChIKeyQZPRHVXEJLIUSX-UHFFFAOYSA-N
XLogP-0.05
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(7-aminoheptanoylamino)ethyl]cyclopropanecarboxamide
CID 115738007
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide
CID 162284874
N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
CID 140976881
N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107023146
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide (CID 107035440) is N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide is O=C(CCS)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is QZPRHVXEJLIUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-8(3-6-14)10-4-5-11-9(13)7-1-2-7/h7,14H,1-6H2,(H,10,12)(H,11,13).
What are the key properties of N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide?
N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 216.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 107035440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).