1,1-dimethyl-3-(3-methylsulfinylbutyl)urea

C8H18N2O2S — CID 115729496

IUPAC1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
SMILESCC(CCNC(=O)N(C)C)S(C)=O
InChIInChI=1S/C8H18N2O2S/c1-7(13(4)12)5-6-9-8(11)10(2)3/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyPAZLYYMDBSWUIA-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.41
Rot. Bonds4

About 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea

1,1-dimethyl-3-(3-methylsulfinylbutyl)urea (PubChem CID 115729496) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
PubChem CID115729496
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
SMILESCC(CCNC(=O)N(C)C)S(C)=O
InChIInChI=1S/C8H18N2O2S/c1-7(13(4)12)5-6-9-8(11)10(2)3/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyPAZLYYMDBSWUIA-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methylsulfinylbutylcarbamoyl(propan-2-yl)amino]acetic acid
CID 113490727
(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
2-amino-N-(3-methylsulfinylbutyl)butanamide
CID 115734815
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)propanoic acid
CID 104866570
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
2-amino-N-(3-methylsulfinylbutyl)butanediamide
CID 115751165
1-(3-methylsulfinylbutyl)-3-propylthiourea
CID 116510232
N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
CID 116657935
1-[(3R)-4-methylpent-1-yn-3-yl]-3-[(3R)-3-[(R)-methylsulfinyl]butyl]urea
CID 129434504
3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490479

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea (CID 115729496) is 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea is CC(CCNC(=O)N(C)C)S(C)=O.
What is the InChIKey of 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea?
The InChIKey is PAZLYYMDBSWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(13(4)12)5-6-9-8(11)10(2)3/h7H,5-6H2,1-4H3,(H,9,11).
What are the key properties of 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea?
1,1-dimethyl-3-(3-methylsulfinylbutyl)urea has a molecular weight of 206.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methylsulfinylbutyl)urea is sourced from PubChem (CID 115729496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).