1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea

C12H25N3S — CID 105413208

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C12H25N3S/c1-10(2)8-13-11(16)14-9-12(15(3)4)6-5-7-12/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyFZKSYCPOERADNM-UHFFFAOYSA-N
MW243.42 g/mol
LogP1.59
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea (PubChem CID 105413208) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
PubChem CID105413208
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C12H25N3S/c1-10(2)8-13-11(16)14-9-12(15(3)4)6-5-7-12/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyFZKSYCPOERADNM-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
1-[(2-methyloxolan-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115687378
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea
CID 115590205
1-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]thiourea
CID 115693770
1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471
N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
CID 115876394
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea (CID 105413208) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NCC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea?
The InChIKey is FZKSYCPOERADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-10(2)8-13-11(16)14-9-12(15(3)4)6-5-7-12/h10H,5-9H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea has a molecular weight of 243.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 105413208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).