2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide

C9H18N2OS — CID 66222711

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCC(C)(C)N
InChIInChI=1S/C9H18N2OS/c1-4-5-11-8(12)6-13-7-9(2,3)10/h4H,1,5-7,10H2,2-3H3,(H,11,12)
InChIKeyZWVSASNZNMAGTD-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.76
Rot. Bonds6

About 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 66222711) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide
PubChem CID66222711
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCC(C)(C)N
InChIInChI=1S/C9H18N2OS/c1-4-5-11-8(12)6-13-7-9(2,3)10/h4H,1,5-7,10H2,2-3H3,(H,11,12)
InChIKeyZWVSASNZNMAGTD-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-N-tert-butylacetamide
CID 66230207
2-(3-aminobutylsulfanyl)-N-prop-2-enylacetamide
CID 66232827
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 66228331
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 66230911
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 66222087
2-(2-amino-2-methylpropyl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66223578
[2-oxo-2-(prop-2-enylamino)ethyl] carbamimidothioate
CID 65212148
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine
CID 66229717
2-hydrazinyl-N-prop-2-enylacetamide
CID 83694224

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide (CID 66222711) is 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSCC(C)(C)N.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is ZWVSASNZNMAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-4-5-11-8(12)6-13-7-9(2,3)10/h4H,1,5-7,10H2,2-3H3,(H,11,12).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 202.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 66222711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).