1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea

C14H27N3O4S — CID 94049866

IUPAC1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-16(10-12-6-9-21-11-12)14(18)15-13-4-7-17(8-5-13)22(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyKVHBUVJJZNSXKJ-LBPRGKRZSA-N
MW333.45 g/mol
LogP0.48
Rot. Bonds5

About 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea

1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 94049866) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID94049866
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-16(10-12-6-9-21-11-12)14(18)15-13-4-7-17(8-5-13)22(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyKVHBUVJJZNSXKJ-LBPRGKRZSA-N
XLogP0.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

N-isobutyl-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide
CID 91923551
N-(sec-butyl)-4-(2-methoxyethyl)-4-[(methylsulfonyl)amino]tetrahydro-1(2H)-pyridinecarboxamide
CID 91923552
(1-(Isopropylcarbamoyl)piperidin-4-yl)methyl methanesulfonate
CID 86641165
1-methylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43628854
1-[3-(Cyclopropylmethoxy)propyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47041253
1-(3-Methoxypropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 47164208
1-(1-Methylsulfonylpiperidin-4-yl)-3-(oxolan-3-ylmethyl)urea
CID 47247545
N-[1-(tetrahydrofuran-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 50978116
1-Ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
CID 51084116
1-Cyclopropyl-3-[3-[methyl(methylsulfonyl)amino]propyl]-1-(oxolan-3-ylmethyl)urea
CID 51084756
4-methylsulfonyl-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53500655
2-(methanesulfonamidomethyl)-N-(oxolan-3-ylmethyl)piperidine-1-carboxamide
CID 53517117

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea (CID 94049866) is 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea is CCN(C[C@@H]1CCOC1)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is KVHBUVJJZNSXKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-3-16(10-12-6-9-21-11-12)14(18)15-13-4-7-17(8-5-13)22(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 333.45 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94049866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).