1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea

C14H27N3OS — CID 99829634

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea
SMILESCN(CC1(N(C)C)CCC1)C(=O)NC[C@@H]1CCCS1
InChIInChI=1S/C14H27N3OS/c1-16(2)14(7-5-8-14)11-17(3)13(18)15-10-12-6-4-9-19-12/h12H,4-11H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyWUDXZMOSWCOZSE-LBPRGKRZSA-N
MW285.46 g/mol
LogP2.01
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea (PubChem CID 99829634) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea
PubChem CID99829634
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea
SMILESCN(CC1(N(C)C)CCC1)C(=O)NC[C@@H]1CCCS1
InChIInChI=1S/C14H27N3OS/c1-16(2)14(7-5-8-14)11-17(3)13(18)15-10-12-6-4-9-19-12/h12H,4-11H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyWUDXZMOSWCOZSE-LBPRGKRZSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-[2-(2-Amino-2-methylpropyl)sulfanylethyl]imidazolidin-2-one
CID 66228552
1-(4-Methylsulfanylbutan-2-yl)-3-[(2-methylthiolan-2-yl)methyl]urea
CID 71853184
3-[2-(Dimethylamino)-2-methylpropyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920912
1-[2-[Cyclopropyl(methyl)amino]ethyl]-3-[(2-methylthiolan-2-yl)methyl]urea
CID 71970868
1-(Cyclobutylmethyl)-3-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methylurea
CID 75382147
1-[2-(Cyclopropylmethylsulfanyl)ethyl]-3-(1-methylcyclobutyl)urea
CID 75432539
1-[2-[(2-Methylthiolan-2-yl)methylamino]ethyl]imidazolidin-2-one
CID 80723379
1,1-Dimethyl-3-[2-[(5-methylthiolan-3-yl)amino]ethyl]urea
CID 83117084
1-[[1-(Dimethylamino)cyclobutyl]methyl]-1-methyl-3-(thiolan-2-ylmethyl)urea
CID 86817836
1-[(2S)-4-methylsulfanylbutan-2-yl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97019706
1-[(2R)-4-methylsulfanylbutan-2-yl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97019707
1-[(2S)-4-methylsulfanylbutan-2-yl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97019708

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea (CID 99829634) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea is CN(CC1(N(C)C)CCC1)C(=O)NC[C@@H]1CCCS1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea?
The InChIKey is WUDXZMOSWCOZSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-16(2)14(7-5-8-14)11-17(3)13(18)15-10-12-6-4-9-19-12/h12H,4-11H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea has a molecular weight of 285.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea is sourced from PubChem (CID 99829634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).