1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea

C9H20N2OS — CID 115624328

IUPAC1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
SMILESCCCNC(=O)NCC(C)CSC
InChIInChI=1S/C9H20N2OS/c1-4-5-10-9(12)11-6-8(2)7-13-3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyKUHWBIORZPROBD-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.69
Rot. Bonds6

About 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea

1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea (PubChem CID 115624328) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
PubChem CID115624328
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
SMILESCCCNC(=O)NCC(C)CSC
InChIInChI=1S/C9H20N2OS/c1-4-5-10-9(12)11-6-8(2)7-13-3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyKUHWBIORZPROBD-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
1-(2-hydroxypropyl)-3-propylurea
CID 12876542
2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
CID 79463856
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63957961
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321
(2S)-3-methyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63960300
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea (CID 115624328) is 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea is CCCNC(=O)NCC(C)CSC.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea?
The InChIKey is KUHWBIORZPROBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-5-10-9(12)11-6-8(2)7-13-3/h8H,4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea?
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea has a molecular weight of 204.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea is sourced from PubChem (CID 115624328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).