N-(3-aminopropyl)-2-sulfanylacetamide;ethane

C7H18N2OS — CID 143545848

IUPACN-(3-aminopropyl)-2-sulfanylacetamide;ethane
SMILESCC.NCCCNC(=O)CS
InChIInChI=1S/C5H12N2OS.C2H6/c6-2-1-3-7-5(8)4-9;1-2/h9H,1-4,6H2,(H,7,8);1-2H3
InChIKeyCOKYQYSFBHHWGH-UHFFFAOYSA-N
MW178.30 g/mol
LogP0.41
Rot. Bonds4

About N-(3-aminopropyl)-2-sulfanylacetamide;ethane

N-(3-aminopropyl)-2-sulfanylacetamide;ethane (PubChem CID 143545848) has the molecular formula C7H18N2OS and a molecular weight of 178.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-sulfanylacetamide;ethane.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-sulfanylacetamide;ethane
PubChem CID143545848
Molecular FormulaC7H18N2OS
Molecular Weight178.30 g/mol
Exact Mass178.11
IUPAC NameN-(3-aminopropyl)-2-sulfanylacetamide;ethane
SMILESCC.NCCCNC(=O)CS
InChIInChI=1S/C5H12N2OS.C2H6/c6-2-1-3-7-5(8)4-9;1-2/h9H,1-4,6H2,(H,7,8);1-2H3
InChIKeyCOKYQYSFBHHWGH-UHFFFAOYSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 50.41
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-(3-aminopropyl)propanamide
CID 21290277
N-butyl-2-sulfanylacetamide;propane
CID 153354639
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(3-aminopropyl)-5-oxoheptanamide
CID 91122270
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
3-aminopropylcarbamic acid
CID 3023499
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
CID 71362529
N-(3-aminopropyl)-2-tert-butylsulfanylacetamide
CID 62268274

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-sulfanylacetamide;ethane?
The IUPAC name of N-(3-aminopropyl)-2-sulfanylacetamide;ethane (CID 143545848) is N-(3-aminopropyl)-2-sulfanylacetamide;ethane.
What is the SMILES notation for N-(3-aminopropyl)-2-sulfanylacetamide;ethane?
The canonical SMILES for N-(3-aminopropyl)-2-sulfanylacetamide;ethane is CC.NCCCNC(=O)CS.
What is the InChIKey of N-(3-aminopropyl)-2-sulfanylacetamide;ethane?
The InChIKey is COKYQYSFBHHWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS.C2H6/c6-2-1-3-7-5(8)4-9;1-2/h9H,1-4,6H2,(H,7,8);1-2H3.
What are the key properties of N-(3-aminopropyl)-2-sulfanylacetamide;ethane?
N-(3-aminopropyl)-2-sulfanylacetamide;ethane has a molecular weight of 178.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-sulfanylacetamide;ethane is sourced from PubChem (CID 143545848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).