N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide

C9H20N2OS — CID 107026862

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C9H20N2OS/c1-7(13)8(12)10-6-9(2,3)11(4)5/h7,13H,6H2,1-5H3,(H,10,12)
InChIKeyBNPKGZFRESMOKQ-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide

N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide (PubChem CID 107026862) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
PubChem CID107026862
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C9H20N2OS/c1-7(13)8(12)10-6-9(2,3)11(4)5/h7,13H,6H2,1-5H3,(H,10,12)
InChIKeyBNPKGZFRESMOKQ-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496799
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
2-cyclopentyl-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 110353510
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595
N-tert-butyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]propanamide
CID 54940320
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide (CID 107026862) is N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide?
The InChIKey is BNPKGZFRESMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-7(13)8(12)10-6-9(2,3)11(4)5/h7,13H,6H2,1-5H3,(H,10,12).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide?
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107026862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).