N-(3-aminopropyl)-2-tert-butylsulfanylacetamide

C9H20N2OS — CID 62268274

IUPACN-(3-aminopropyl)-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NCCCN
InChIInChI=1S/C9H20N2OS/c1-9(2,3)13-7-8(12)11-6-4-5-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyFLHSLCZTJLWSTO-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.98
Rot. Bonds5

About N-(3-aminopropyl)-2-tert-butylsulfanylacetamide

N-(3-aminopropyl)-2-tert-butylsulfanylacetamide (PubChem CID 62268274) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-tert-butylsulfanylacetamide
PubChem CID62268274
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-(3-aminopropyl)-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NCCCN
InChIInChI=1S/C9H20N2OS/c1-9(2,3)13-7-8(12)11-6-4-5-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyFLHSLCZTJLWSTO-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)propanamide
CID 21290277
2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 78768343
S-[2-(6-aminohexylamino)-2-oxoethyl] ethanethioate
CID 86603506
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
CID 81484822
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
N-(3-aminopropyl)-2-sulfanylacetamide;ethane
CID 143545848
N-(6-aminohexyl)-2-(disulfanyl)acetamide
CID 129106459
2-[2-(butylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 79015465
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide
CID 118721820
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-tert-butylsulfanylacetamide (CID 62268274) is N-(3-aminopropyl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-tert-butylsulfanylacetamide?
The InChIKey is FLHSLCZTJLWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2,3)13-7-8(12)11-6-4-5-10/h4-7,10H2,1-3H3,(H,11,12).
What are the key properties of N-(3-aminopropyl)-2-tert-butylsulfanylacetamide?
N-(3-aminopropyl)-2-tert-butylsulfanylacetamide has a molecular weight of 204.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 62268274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).