N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine

C12H24N2O4S2 — CID 102887483

IUPACN-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C12H24N2O4S2/c1-11-10-19(15,16)9-7-14(11)20(17,18)8-3-2-6-13-12-4-5-12/h11-13H,2-10H2,1H3
InChIKeyPFIDIOXURHGXOP-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.03
Rot. Bonds7

About N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine

N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine (PubChem CID 102887483) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine
PubChem CID102887483
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC NameN-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C12H24N2O4S2/c1-11-10-19(15,16)9-7-14(11)20(17,18)8-3-2-6-13-12-4-5-12/h11-13H,2-10H2,1H3
InChIKeyPFIDIOXURHGXOP-UHFFFAOYSA-N
XLogP-0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine (CID 102887483) is N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine is CC1CS(=O)(=O)CCN1S(=O)(=O)CCCCNC1CC1.
What is the InChIKey of N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine?
The InChIKey is PFIDIOXURHGXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-11-10-19(15,16)9-7-14(11)20(17,18)8-3-2-6-13-12-4-5-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine?
N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine has a molecular weight of 324.47 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine is sourced from PubChem (CID 102887483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).