N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine

C14H22N2O3S — CID 75385897

IUPACN-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCN(Cc1cc(OC)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H22N2O3S/c1-3-7-16(13-5-8-20(17,18)11-13)10-12-9-14(19-2)4-6-15-12/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3
InChIKeySBLTZFFPOOIQFQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.49
Rot. Bonds6

About N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine

N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine (PubChem CID 75385897) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine
PubChem CID75385897
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine
SMILESCCCN(Cc1cc(OC)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H22N2O3S/c1-3-7-16(13-5-8-20(17,18)11-13)10-12-9-14(19-2)4-6-15-12/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3
InChIKeySBLTZFFPOOIQFQ-UHFFFAOYSA-N
XLogP1.49
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolan-3-amine
CID 95173139
5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897476
N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 70714676
N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine
CID 70718623
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxyphenol
CID 82981858
2-chloro-4-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]benzoic acid
CID 136550072
(3R)-N-benzyl-N-butyl-1,1-dioxothiolan-3-amine
CID 129370820
3-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 77095376
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 124765204
2-[(1,1-dioxothiolan-3-yl)-propylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446759
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-nitrophenoxy)-N-propylacetamide
CID 8537615
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109173463

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine (CID 75385897) is N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine is CCCN(Cc1cc(OC)ccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine?
The InChIKey is SBLTZFFPOOIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-7-16(13-5-8-20(17,18)11-13)10-12-9-14(19-2)4-6-15-12/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine?
N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine has a molecular weight of 298.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine is sourced from PubChem (CID 75385897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).