N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide

C8H14N2O2S — CID 107023146

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCC(=O)NC1CC1
InChIInChI=1S/C8H14N2O2S/c11-7(3-4-13)9-5-8(12)10-6-1-2-6/h6,13H,1-5H2,(H,9,11)(H,10,12)
InChIKeyZKJTXMYHVNLSFA-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.30
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide (PubChem CID 107023146) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
PubChem CID107023146
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCC(=O)NC1CC1
InChIInChI=1S/C8H14N2O2S/c11-7(3-4-13)9-5-8(12)10-6-1-2-6/h6,13H,1-5H2,(H,9,11)(H,10,12)
InChIKeyZKJTXMYHVNLSFA-UHFFFAOYSA-N
XLogP-0.30
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 43568420
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide
CID 55049712
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
N,N'-dicyclopropylbutanediamide
CID 5225156
N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 107035440
N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
CID 130620155
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylbutanamide
CID 64684778
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide (CID 107023146) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide is O=C(CCS)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The InChIKey is ZKJTXMYHVNLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-7(3-4-13)9-5-8(12)10-6-1-2-6/h6,13H,1-5H2,(H,9,11)(H,10,12).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide has a molecular weight of 202.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107023146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).