1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea

C14H25N3S — CID 2382236

IUPAC1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea
SMILESC[C@H]1CCCC=C1NNC(=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/h10-12,16H,2-9H2,1H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyTZFRHHGVDJHIPT-NSHDSACASA-N
MW267.44 g/mol
LogP2.99
Rot. Bonds3

About 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea

1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea (PubChem CID 2382236) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea
PubChem CID2382236
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea
SMILESC[C@H]1CCCC=C1NNC(=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/h10-12,16H,2-9H2,1H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyTZFRHHGVDJHIPT-NSHDSACASA-N
XLogP2.99
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea (CID 2382236) is 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea is C[C@H]1CCCC=C1NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea?
The InChIKey is TZFRHHGVDJHIPT-NSHDSACASA-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/h10-12,16H,2-9H2,1H3,(H2,15,17,18)/t11-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea?
1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea has a molecular weight of 267.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[(6S)-6-methylcyclohexen-1-yl]amino]thiourea is sourced from PubChem (CID 2382236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).