N-ethyl-3-methyl-N-propan-2-ylbutanethioamide

C10H21NS — CID 91178323

IUPACN-ethyl-3-methyl-N-propan-2-ylbutanethioamide
SMILESCCN(C(=S)CC(C)C)C(C)C
InChIInChI=1S/C10H21NS/c1-6-11(9(4)5)10(12)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyUCJXMKNQGBVEEN-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.09
Rot. Bonds4

About N-ethyl-3-methyl-N-propan-2-ylbutanethioamide

N-ethyl-3-methyl-N-propan-2-ylbutanethioamide (PubChem CID 91178323) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-propan-2-ylbutanethioamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-propan-2-ylbutanethioamide
PubChem CID91178323
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-3-methyl-N-propan-2-ylbutanethioamide
SMILESCCN(C(=S)CC(C)C)C(C)C
InChIInChI=1S/C10H21NS/c1-6-11(9(4)5)10(12)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyUCJXMKNQGBVEEN-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-propan-2-ylbutanethioamide?
The IUPAC name of N-ethyl-3-methyl-N-propan-2-ylbutanethioamide (CID 91178323) is N-ethyl-3-methyl-N-propan-2-ylbutanethioamide.
What is the SMILES notation for N-ethyl-3-methyl-N-propan-2-ylbutanethioamide?
The canonical SMILES for N-ethyl-3-methyl-N-propan-2-ylbutanethioamide is CCN(C(=S)CC(C)C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-propan-2-ylbutanethioamide?
The InChIKey is UCJXMKNQGBVEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-6-11(9(4)5)10(12)7-8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-N-propan-2-ylbutanethioamide?
N-ethyl-3-methyl-N-propan-2-ylbutanethioamide has a molecular weight of 187.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-propan-2-ylbutanethioamide is sourced from PubChem (CID 91178323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).