1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea

C14H29N3S — CID 134835695

IUPAC1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea
SMILESCC(C)[C@H](CN(C)C)NC(=S)NC1CCCCC1
InChIInChI=1S/C14H29N3S/c1-11(2)13(10-17(3)4)16-14(18)15-12-8-6-5-7-9-12/h11-13H,5-10H2,1-4H3,(H2,15,16,18)/t13-/m0/s1
InChIKeyYGEVNOPAFLDXPL-ZDUSSCGKSA-N
MW271.47 g/mol
LogP2.37
Rot. Bonds5

About 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea

1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea (PubChem CID 134835695) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea
PubChem CID134835695
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea
SMILESCC(C)[C@H](CN(C)C)NC(=S)NC1CCCCC1
InChIInChI=1S/C14H29N3S/c1-11(2)13(10-17(3)4)16-14(18)15-12-8-6-5-7-9-12/h11-13H,5-10H2,1-4H3,(H2,15,16,18)/t13-/m0/s1
InChIKeyYGEVNOPAFLDXPL-ZDUSSCGKSA-N
XLogP2.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea (CID 134835695) is 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea is CC(C)[C@H](CN(C)C)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea?
The InChIKey is YGEVNOPAFLDXPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29N3S/c1-11(2)13(10-17(3)4)16-14(18)15-12-8-6-5-7-9-12/h11-13H,5-10H2,1-4H3,(H2,15,16,18)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea?
1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea has a molecular weight of 271.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea is sourced from PubChem (CID 134835695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).