2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide

C15H28N2OS — CID 81450916

IUPAC2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
SMILESCC(C)N(CC1CCNCC1)C(=O)C1(C)CCCS1
InChIInChI=1S/C15H28N2OS/c1-12(2)17(11-13-5-8-16-9-6-13)14(18)15(3)7-4-10-19-15/h12-13,16H,4-11H2,1-3H3
InChIKeyGMOFWQUBWQDNNB-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide

2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide (PubChem CID 81450916) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
PubChem CID81450916
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
SMILESCC(C)N(CC1CCNCC1)C(=O)C1(C)CCCS1
InChIInChI=1S/C15H28N2OS/c1-12(2)17(11-13-5-8-16-9-6-13)14(18)15(3)7-4-10-19-15/h12-13,16H,4-11H2,1-3H3
InChIKeyGMOFWQUBWQDNNB-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylthiolane-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 81450429
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 106629148
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
2-[cyclopropylmethyl-(2-methylthiolane-2-carbonyl)amino]acetic acid
CID 81451507
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 106828147
N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide
CID 81002413
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 65465577
4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpentanamide
CID 79720418
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 55000242
N-(1-chloropropan-2-yl)-N,2-dimethylthiolane-2-carboxamide
CID 104555925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide (CID 81450916) is 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide is CC(C)N(CC1CCNCC1)C(=O)C1(C)CCCS1.
What is the InChIKey of 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide?
The InChIKey is GMOFWQUBWQDNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12(2)17(11-13-5-8-16-9-6-13)14(18)15(3)7-4-10-19-15/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide?
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide is sourced from PubChem (CID 81450916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).