N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide

C10H21NOS — CID 107022405

IUPACN-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide
SMILESCCCN(CC)C(=O)C(S)C(C)C
InChIInChI=1S/C10H21NOS/c1-5-7-11(6-2)10(12)9(13)8(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyLJBZSAQRLMDSDR-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide

N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide (PubChem CID 107022405) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide
PubChem CID107022405
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide
SMILESCCCN(CC)C(=O)C(S)C(C)C
InChIInChI=1S/C10H21NOS/c1-5-7-11(6-2)10(12)9(13)8(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyLJBZSAQRLMDSDR-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
CID 107033486
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
CID 123892539
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
CID 107033460
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
CID 107024837
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-ethyl-N-propyl-3-sulfanylpropanamide
CID 107022413
N-(2-chloroethyl)-N-ethyl-2-methylpropanamide
CID 63395001
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
[ethyl(propan-2-yl)amino]methyl-propylcarbamothioic S-acid
CID 166843009

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide?
The IUPAC name of N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide (CID 107022405) is N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide.
What is the SMILES notation for N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide?
The canonical SMILES for N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide is CCCN(CC)C(=O)C(S)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide?
The InChIKey is LJBZSAQRLMDSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-7-11(6-2)10(12)9(13)8(3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide?
N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide has a molecular weight of 203.35 g/mol, XLogP of 2.20, 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-propyl-2-sulfanylbutanamide is sourced from PubChem (CID 107022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).