N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine

C13H28N2O2S2 — CID 66384183

IUPACN-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
SMILESCC(C)(C)NCCCCN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-13(2,3)14-7-5-6-8-15-9-10-18-11-12(15)19(4,16)17/h12,14H,5-11H2,1-4H3
InChIKeyWNBSZWKTBBCVMT-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.57
Rot. Bonds6

About N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine

N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine (PubChem CID 66384183) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
PubChem CID66384183
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC NameN-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
SMILESCC(C)(C)NCCCCN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-13(2,3)14-7-5-6-8-15-9-10-18-11-12(15)19(4,16)17/h12,14H,5-11H2,1-4H3
InChIKeyWNBSZWKTBBCVMT-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66384755
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
CID 66383426
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66382213
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
3-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]aniline
CID 66384766

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine (CID 66384183) is N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine is CC(C)(C)NCCCCN1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine?
The InChIKey is WNBSZWKTBBCVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-13(2,3)14-7-5-6-8-15-9-10-18-11-12(15)19(4,16)17/h12,14H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine?
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine is sourced from PubChem (CID 66384183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).