1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea

C10H22N2OS — CID 115640922

IUPAC1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
SMILESCCCNC(=O)N(C)C(C)CCSC
InChIInChI=1S/C10H22N2OS/c1-5-7-11-10(13)12(3)9(2)6-8-14-4/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyKZBBGCVPASGZLP-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.18
Rot. Bonds6

About 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea

1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea (PubChem CID 115640922) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
PubChem CID115640922
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
SMILESCCCNC(=O)N(C)C(C)CCSC
InChIInChI=1S/C10H22N2OS/c1-5-7-11-10(13)12(3)9(2)6-8-14-4/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyKZBBGCVPASGZLP-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyanopropan-2-yl)-1-methyl-3-propylurea
CID 63224450
1-methyl-3-(3-methylbutyl)-1-[(2R)-4-methylpentan-2-yl]urea
CID 97014475
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
(2R)-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910027
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910575
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
1-(4-methylsulfanylbutan-2-yl)-3-propylthiourea
CID 115635658

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea?
The IUPAC name of 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea (CID 115640922) is 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea.
What is the SMILES notation for 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea?
The canonical SMILES for 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea is CCCNC(=O)N(C)C(C)CCSC.
What is the InChIKey of 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea?
The InChIKey is KZBBGCVPASGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-7-11-10(13)12(3)9(2)6-8-14-4/h9H,5-8H2,1-4H3,(H,11,13).
What are the key properties of 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea?
1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea has a molecular weight of 218.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea is sourced from PubChem (CID 115640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).