N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide

C10H19NOS — CID 107033486

IUPACN-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
SMILESC=CCN(CC)C(=O)C(S)C(C)C
InChIInChI=1S/C10H19NOS/c1-5-7-11(6-2)10(12)9(13)8(3)4/h5,8-9,13H,1,6-7H2,2-4H3
InChIKeyQLOUVPPRNFMADU-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide

N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide (PubChem CID 107033486) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
PubChem CID107033486
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
SMILESC=CCN(CC)C(=O)C(S)C(C)C
InChIInChI=1S/C10H19NOS/c1-5-7-11(6-2)10(12)9(13)8(3)4/h5,8-9,13H,1,6-7H2,2-4H3
InChIKeyQLOUVPPRNFMADU-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide
CID 107022405
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
3-(ethylamino)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 62853954
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide?
The IUPAC name of N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide (CID 107033486) is N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide.
What is the SMILES notation for N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide?
The canonical SMILES for N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide is C=CCN(CC)C(=O)C(S)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide?
The InChIKey is QLOUVPPRNFMADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-5-7-11(6-2)10(12)9(13)8(3)4/h5,8-9,13H,1,6-7H2,2-4H3.
What are the key properties of N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide?
N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide has a molecular weight of 201.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide is sourced from PubChem (CID 107033486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).