N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide

C10H21NOS — CID 107026462

IUPACN-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
SMILESCC(C)CN(C(=O)CCS)C(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)7-11(9(3)4)10(12)5-6-13/h8-9,13H,5-7H2,1-4H3
InChIKeyYEUOEFJAIADKFP-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.20
Rot. Bonds5

About N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide

N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide (PubChem CID 107026462) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
PubChem CID107026462
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
SMILESCC(C)CN(C(=O)CCS)C(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)7-11(9(3)4)10(12)5-6-13/h8-9,13H,5-7H2,1-4H3
InChIKeyYEUOEFJAIADKFP-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

5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 23588339
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
CID 79886811
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
2-(2-aminoethoxy)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 79473856
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086
2-(cyclopropylmethylamino)-N-(2-methylpropyl)-N-propan-2-ylacetamide;hydrochloride
CID 119730933
2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 166195250
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide (CID 107026462) is N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide is CC(C)CN(C(=O)CCS)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide?
The InChIKey is YEUOEFJAIADKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)7-11(9(3)4)10(12)5-6-13/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide?
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide 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-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide is sourced from PubChem (CID 107026462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).