N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide

C10H21N3O2S — CID 66227648

IUPACN-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide
SMILESCC(=O)NCCNC(=O)CSCC(C)CN
InChIInChI=1S/C10H21N3O2S/c1-8(5-11)6-16-7-10(15)13-4-3-12-9(2)14/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyANGNXZIIHOFSFO-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.43
Rot. Bonds8

About N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide

N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide (PubChem CID 66227648) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide
PubChem CID66227648
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide
SMILESCC(=O)NCCNC(=O)CSCC(C)CN
InChIInChI=1S/C10H21N3O2S/c1-8(5-11)6-16-7-10(15)13-4-3-12-9(2)14/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyANGNXZIIHOFSFO-UHFFFAOYSA-N
XLogP-0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66226351
2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 66226083
2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
CID 66227187
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
CID 103387588
2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 66225169
2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 66227491
2-[2-(3-acetamidopropylamino)-2-oxoethyl]sulfanylacetic acid
CID 19593898
N-(2-cyanoethyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105822
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide
CID 118721820

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide (CID 66227648) is N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide is CC(=O)NCCNC(=O)CSCC(C)CN.
What is the InChIKey of N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide?
The InChIKey is ANGNXZIIHOFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-8(5-11)6-16-7-10(15)13-4-3-12-9(2)14/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide?
N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide has a molecular weight of 247.36 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 66227648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).