2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

C12H22N2OS — CID 66225906

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSCC(C)CN
InChIInChI=1S/C12H22N2OS/c1-4-6-14(7-5-2)12(15)10-16-9-11(3)8-13/h4-5,11H,1-2,6-10,13H2,3H3
InChIKeyGFQFGIRWWXBIPC-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.51
Rot. Bonds9

About 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 66225906) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID66225906
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSCC(C)CN
InChIInChI=1S/C12H22N2OS/c1-4-6-14(7-5-2)12(15)10-16-9-11(3)8-13/h4-5,11H,1-2,6-10,13H2,3H3
InChIKeyGFQFGIRWWXBIPC-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 81070887
2-amino-3-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385296
2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
CID 66227187
2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide
CID 66227723
2-amino-4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 54933473
2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 66225900
2-(3-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66227467
2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide
CID 66103337
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide
CID 66227648
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 66225906) is 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSCC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is GFQFGIRWWXBIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-6-14(7-5-2)12(15)10-16-9-11(3)8-13/h4-5,11H,1-2,6-10,13H2,3H3.
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 242.39 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 66225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).