1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea

C13H25N3O3S — CID 51081511

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
SMILESCN(C)C1(CNC(=O)NC2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C13H25N3O3S/c1-16(2)13(6-3-4-7-13)10-14-12(17)15-11-5-8-20(18,19)9-11/h11H,3-10H2,1-2H3,(H2,14,15,17)
InChIKeySTPYURPSUTYWLK-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.35
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea

1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea (PubChem CID 51081511) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
PubChem CID51081511
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
SMILESCN(C)C1(CNC(=O)NC2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C13H25N3O3S/c1-16(2)13(6-3-4-7-13)10-14-12(17)15-11-5-8-20(18,19)9-11/h11H,3-10H2,1-2H3,(H2,14,15,17)
InChIKeySTPYURPSUTYWLK-UHFFFAOYSA-N
XLogP0.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
1-[(3R)-1,1-dioxothian-3-yl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97306096
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307094
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 105419502
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95144868

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea (CID 51081511) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea is CN(C)C1(CNC(=O)NC2CCS(=O)(=O)C2)CCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea?
The InChIKey is STPYURPSUTYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-16(2)13(6-3-4-7-13)10-14-12(17)15-11-5-8-20(18,19)9-11/h11H,3-10H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea?
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea has a molecular weight of 303.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea is sourced from PubChem (CID 51081511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).