N-[3-(ethylamino)propyl]-2-sulfanylpropanamide

C8H18N2OS — CID 107023996

IUPACN-[3-(ethylamino)propyl]-2-sulfanylpropanamide
SMILESCCNCCCNC(=O)C(C)S
InChIInChI=1S/C8H18N2OS/c1-3-9-5-4-6-10-8(11)7(2)12/h7,9,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyLGOVUXKOUKWKEL-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.42
Rot. Bonds6

About N-[3-(ethylamino)propyl]-2-sulfanylpropanamide

N-[3-(ethylamino)propyl]-2-sulfanylpropanamide (PubChem CID 107023996) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2-sulfanylpropanamide
PubChem CID107023996
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-[3-(ethylamino)propyl]-2-sulfanylpropanamide
SMILESCCNCCCNC(=O)C(C)S
InChIInChI=1S/C8H18N2OS/c1-3-9-5-4-6-10-8(11)7(2)12/h7,9,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyLGOVUXKOUKWKEL-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.42
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

4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498046
N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide
CID 107030299
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
(2R)-2-[3-(ethylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 79010343
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
CID 168958672
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2-sulfanylpropanamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2-sulfanylpropanamide (CID 107023996) is N-[3-(ethylamino)propyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2-sulfanylpropanamide is CCNCCCNC(=O)C(C)S.
What is the InChIKey of N-[3-(ethylamino)propyl]-2-sulfanylpropanamide?
The InChIKey is LGOVUXKOUKWKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-9-5-4-6-10-8(11)7(2)12/h7,9,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[3-(ethylamino)propyl]-2-sulfanylpropanamide?
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide has a molecular weight of 190.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107023996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).