1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea

C14H25N3S — CID 129360267

IUPAC1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea
SMILESC[C@@H]1CCCCC1=NNC(=S)NC1CCCCC1
InChIInChI=1S/C14H25N3S/c1-11-7-5-6-10-13(11)16-17-14(18)15-12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H2,15,17,18)/t11-/m1/s1
InChIKeyKURAPPSCKKXMHG-LLVKDONJSA-N
MW267.44 g/mol
LogP3.35
Rot. Bonds2

About 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea

1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea (PubChem CID 129360267) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea
PubChem CID129360267
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea
SMILESC[C@@H]1CCCCC1=NNC(=S)NC1CCCCC1
InChIInChI=1S/C14H25N3S/c1-11-7-5-6-10-13(11)16-17-14(18)15-12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H2,15,17,18)/t11-/m1/s1
InChIKeyKURAPPSCKKXMHG-LLVKDONJSA-N
XLogP3.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(Z)-(2-methylcyclohexylidene)amino]thiourea
CID 6380013
1-methyl-3-[(E)-(2-methylcyclohexylidene)amino]thiourea
CID 6024955
1-[(1R,2R)-2-methylcyclohexyl]-3-[[(2S)-2-methylcyclohexylidene]amino]thiourea
CID 11936748
1-cyclohexyl-3-(cyclooctylideneamino)thiourea
CID 7933892
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
1-[(E)-(2-methylcyclohexylidene)amino]-3-(4-propan-2-ylphenyl)thiourea
CID 74766382
1-(cyclobutylideneamino)-3-cyclopropylthiourea
CID 131041438
2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine
CID 101085388
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351584
1-(3-methoxyphenyl)-3-[[(2S)-2-methylcyclohexylidene]amino]thiourea
CID 7966051
1-(cycloheptylideneamino)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122110
1-(cyclohexylideneamino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9122148

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea (CID 129360267) is 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea is C[C@@H]1CCCCC1=NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea?
The InChIKey is KURAPPSCKKXMHG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11-7-5-6-10-13(11)16-17-14(18)15-12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H2,15,17,18)/t11-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea?
1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea has a molecular weight of 267.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea is sourced from PubChem (CID 129360267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).