N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine

C12H24N2O2S — CID 102884254

IUPACN-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
SMILESCC1CS(=O)(=O)CCN1CCNC1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-11-10-17(15,16)9-8-14(11)7-6-13-12-4-2-3-5-12/h11-13H,2-10H2,1H3
InChIKeyGCMHYDGJXIJODV-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds4

About N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine

N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine (PubChem CID 102884254) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
PubChem CID102884254
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
SMILESCC1CS(=O)(=O)CCN1CCNC1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-11-10-17(15,16)9-8-14(11)7-6-13-12-4-2-3-5-12/h11-13H,2-10H2,1H3
InChIKeyGCMHYDGJXIJODV-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]cyclohexanamine
CID 113240998
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
CID 114221239
2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887294
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884162
3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
CID 102884232
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanenitrile
CID 102886083

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine (CID 102884254) is N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine is CC1CS(=O)(=O)CCN1CCNC1CCCC1.
What is the InChIKey of N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine?
The InChIKey is GCMHYDGJXIJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11-10-17(15,16)9-8-14(11)7-6-13-12-4-2-3-5-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine?
N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 102884254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).