N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine

C14H23NS — CID 71389612

IUPACN-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine
SMILESCC(C)(C)NCC(C)(C)Sc1ccccc1
InChIInChI=1S/C14H23NS/c1-13(2,3)15-11-14(4,5)16-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3
InChIKeyLOPFLRWGJSMRNH-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.95
Rot. Bonds4

About N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine

N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine (PubChem CID 71389612) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine
PubChem CID71389612
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine
SMILESCC(C)(C)NCC(C)(C)Sc1ccccc1
InChIInChI=1S/C14H23NS/c1-13(2,3)15-11-14(4,5)16-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3
InChIKeyLOPFLRWGJSMRNH-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine
CID 141093306
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
2,3-dimethylbut-3-en-2-ylsulfanylbenzene
CID 14947992
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
2-methyl-2-phenylsulfanylpropanedinitrile
CID 86164995
2-methylbut-3-yn-2-ylsulfanylbenzene
CID 86002618
[1,2-bis(methylsulfanyl)-1,2,2-tris(phenylsulfanyl)ethyl]sulfanylbenzene
CID 22765410
N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine
CID 167022927
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
2-methyl-2-phenylsulfanylpentan-3-one
CID 13353123

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine (CID 71389612) is N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine is CC(C)(C)NCC(C)(C)Sc1ccccc1.
What is the InChIKey of N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine?
The InChIKey is LOPFLRWGJSMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-13(2,3)15-11-14(4,5)16-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine?
N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 71389612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).