N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine

C16H26N2O2S — CID 105347084

IUPACN-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14(2)17-8-7-15-3-5-16(6-4-15)13-18-9-11-21(19,20)12-10-18/h3-6,14,17H,7-13H2,1-2H3
InChIKeyDAMVFYMSFBFFGI-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine

N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 105347084) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID105347084
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14(2)17-8-7-15-3-5-16(6-4-15)13-18-9-11-21(19,20)12-10-18/h3-6,14,17H,7-13H2,1-2H3
InChIKeyDAMVFYMSFBFFGI-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698
N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348367
N-[[3-bromo-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methyl]propan-2-amine
CID 102769808
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555984
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetic acid
CID 105345699
N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348677
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine (CID 105347084) is N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccc(CN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is DAMVFYMSFBFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-14(2)17-8-7-15-3-5-16(6-4-15)13-18-9-11-21(19,20)12-10-18/h3-6,14,17H,7-13H2,1-2H3.
What are the key properties of N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105347084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).