N-iodo-2-methylsulfanylpropan-2-amine

C4H10INS — CID 129028496

IUPACN-iodo-2-methylsulfanylpropan-2-amine
SMILESCSC(C)(C)NI
InChIInChI=1S/C4H10INS/c1-4(2,6-5)7-3/h6H,1-3H3
InChIKeyRGHRSWCTXJGTBF-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.03
Rot. Bonds2

About N-iodo-2-methylsulfanylpropan-2-amine

N-iodo-2-methylsulfanylpropan-2-amine (PubChem CID 129028496) has the molecular formula C4H10INS and a molecular weight of 231.10 g/mol. Its IUPAC name is N-iodo-2-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-iodo-2-methylsulfanylpropan-2-amine
PubChem CID129028496
Molecular FormulaC4H10INS
Molecular Weight231.10 g/mol
Exact Mass230.96
IUPAC NameN-iodo-2-methylsulfanylpropan-2-amine
SMILESCSC(C)(C)NI
InChIInChI=1S/C4H10INS/c1-4(2,6-5)7-3/h6H,1-3H3
InChIKeyRGHRSWCTXJGTBF-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-Ethylsulfanylpropan-2-amine
CID 87997679
2-(Methylthio)propan-2-amine
CID 88936861
2-Propan-2-ylsulfanylpropan-2-amine
CID 117032548
1-Methylsulfanylcyclopropan-1-amine
CID 117035876
2-Methylsulfanylbutan-2-amine
CID 123436827
2-Aminopropan-2-yl methanedithioate
CID 126728874
2-Methylsulfanylpentan-2-amine
CID 130467814
2-[Methyl(methylidene)-lambda4-sulfanyl]propan-2-amine
CID 164056583
2-Methylsulfanylbutan-2-amine;hydrochloride
CID 176078961
2-Propylsulfanylpropan-2-amine
CID 117032549

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methylsulfanylpropan-2-amine?
The IUPAC name of N-iodo-2-methylsulfanylpropan-2-amine (CID 129028496) is N-iodo-2-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-iodo-2-methylsulfanylpropan-2-amine?
The canonical SMILES for N-iodo-2-methylsulfanylpropan-2-amine is CSC(C)(C)NI.
What is the InChIKey of N-iodo-2-methylsulfanylpropan-2-amine?
The InChIKey is RGHRSWCTXJGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INS/c1-4(2,6-5)7-3/h6H,1-3H3.
What are the key properties of N-iodo-2-methylsulfanylpropan-2-amine?
N-iodo-2-methylsulfanylpropan-2-amine has a molecular weight of 231.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methylsulfanylpropan-2-amine is sourced from PubChem (CID 129028496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).