3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea

C17H26N2O2S — CID 40596895

IUPAC3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
SMILESS=C(NC1CCCCC1)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C17H26N2O2S/c22-17(18-14-6-2-1-3-7-14)19(12-15-8-4-10-20-15)13-16-9-5-11-21-16/h4,8,10,14,16H,1-3,5-7,9,11-13H2,(H,18,22)/t16-/m0/s1
InChIKeyUAAXYIBYFPAVBK-INIZCTEOSA-N
MW322.47 g/mol
LogP3.47
Rot. Bonds5

About 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea

3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea (PubChem CID 40596895) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea.

Molecular Properties

Compound Name3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
PubChem CID40596895
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
SMILESS=C(NC1CCCCC1)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C17H26N2O2S/c22-17(18-14-6-2-1-3-7-14)19(12-15-8-4-10-20-15)13-16-9-5-11-21-16/h4,8,10,14,16H,1-3,5-7,9,11-13H2,(H,18,22)/t16-/m0/s1
InChIKeyUAAXYIBYFPAVBK-INIZCTEOSA-N
XLogP3.47
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510896
3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510893
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510880
3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 17383933
3-(2,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510906
3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 17065543
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510909
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
3-cyclopropyl-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 9284117
3-cyclooctyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(furan-2-ylmethyl)thiourea
CID 17065435
3-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 17369668

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea?
The IUPAC name of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea (CID 40596895) is 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea.
What is the SMILES notation for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea?
The canonical SMILES for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea is S=C(NC1CCCCC1)N(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea?
The InChIKey is UAAXYIBYFPAVBK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2S/c22-17(18-14-6-2-1-3-7-14)19(12-15-8-4-10-20-15)13-16-9-5-11-21-16/h4,8,10,14,16H,1-3,5-7,9,11-13H2,(H,18,22)/t16-/m0/s1.
What are the key properties of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea?
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea has a molecular weight of 322.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea is sourced from PubChem (CID 40596895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).