1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea

C8H18N2OS — CID 163779477

IUPAC1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
SMILESCC(C)CNC(=O)NCC(C)S
InChIInChI=1S/C8H18N2OS/c1-6(2)4-9-8(11)10-5-7(3)12/h6-7,12H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyMNKPPQOTYYWSSH-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.26
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea

1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea (PubChem CID 163779477) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
PubChem CID163779477
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
SMILESCC(C)CNC(=O)NCC(C)S
InChIInChI=1S/C8H18N2OS/c1-6(2)4-9-8(11)10-5-7(3)12/h6-7,12H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyMNKPPQOTYYWSSH-UHFFFAOYSA-N
XLogP1.26
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595
ethane;N-(2-methylpropyl)acetamide
CID 142232237
1-(1-aminoethenyl)-3-(2-methylpropyl)urea
CID 18721993
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea (CID 163779477) is 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea is CC(C)CNC(=O)NCC(C)S.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea?
The InChIKey is MNKPPQOTYYWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-6(2)4-9-8(11)10-5-7(3)12/h6-7,12H,4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea?
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea has a molecular weight of 190.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea is sourced from PubChem (CID 163779477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).