4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide

C13H28N2OS — CID 152946130

IUPAC4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide
SMILESCC(C)CSC(CC(=O)NC(C)C)CN(C)C
InChIInChI=1S/C13H28N2OS/c1-10(2)9-17-12(8-15(5)6)7-13(16)14-11(3)4/h10-12H,7-9H2,1-6H3,(H,14,16)
InChIKeyUNUDDOZHFCPQKT-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.22
Rot. Bonds8

About 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide

4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide (PubChem CID 152946130) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide
PubChem CID152946130
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide
SMILESCC(C)CSC(CC(=O)NC(C)C)CN(C)C
InChIInChI=1S/C13H28N2OS/c1-10(2)9-17-12(8-15(5)6)7-13(16)14-11(3)4/h10-12H,7-9H2,1-6H3,(H,14,16)
InChIKeyUNUDDOZHFCPQKT-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
CID 57217
N-[2-(Acetylsulfanyl)ethyl]-4-aminobutanimidic acid--hydrogen bromide (1/1)
CID 49796293
N,N-dimethyl-2-((2-methylpropyl)amino)-4-(methylsulfanyl)butanamide hydrochloride
CID 165671529
S-Valyl-N-acetylcysteamin
CID 129888640
N-methyl-2-[2-(methylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 121519531
(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)-N-methylbutanamide
CID 121522565
S-[2-(4-aminobutanoylamino)ethyl] ethanethioate
CID 57218
2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
CID 129132655
N,N'-Dibutyl 4-thiaheptanedioic acid amide
CID 567941
(3R)-4-(dimethylamino)-N-propan-2-yl-3-sulfanylbutanamide
CID 42627503
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide (CID 152946130) is 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide is CC(C)CSC(CC(=O)NC(C)C)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide?
The InChIKey is UNUDDOZHFCPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-10(2)9-17-12(8-15(5)6)7-13(16)14-11(3)4/h10-12H,7-9H2,1-6H3,(H,14,16).
What are the key properties of 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide?
4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide has a molecular weight of 260.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 152946130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).