2-methyl-1-(thian-2-yl)propan-2-amine

C9H19NS — CID 84654748

IUPAC2-methyl-1-(thian-2-yl)propan-2-amine
SMILESCC(C)(N)CC1CCCCS1
InChIInChI=1S/C9H19NS/c1-9(2,10)7-8-5-3-4-6-11-8/h8H,3-7,10H2,1-2H3
InChIKeyWOHSMRITNBQPKV-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-1-(thian-2-yl)propan-2-amine

2-methyl-1-(thian-2-yl)propan-2-amine (PubChem CID 84654748) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-methyl-1-(thian-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(thian-2-yl)propan-2-amine
PubChem CID84654748
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-methyl-1-(thian-2-yl)propan-2-amine
SMILESCC(C)(N)CC1CCCCS1
InChIInChI=1S/C9H19NS/c1-9(2,10)7-8-5-3-4-6-11-8/h8H,3-7,10H2,1-2H3
InChIKeyWOHSMRITNBQPKV-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(thietan-2-yl)propan-2-amine
CID 84649066
thiepan-2-amine
CID 175886388
silane;2-(thiepan-2-ylmethyl)thiepane
CID 173274249
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-(thian-2-yl)acetaldehyde
CID 83815216
tert-butyl N-[[(2R)-thian-2-yl]methyl]carbamate
CID 97052799
methyl 2-(thian-2-yl)acetate
CID 89356872
(2R)-2-ethylthiolane
CID 643409
ethyl 3,3-dimethyl-2-(thian-2-ylmethylcarbamoyl)butanoate
CID 116538199
2,2-difluoro-3-(thiolan-2-yl)propan-1-ol
CID 105440135
2-dodecylthiane
CID 14420052
2,2-dimethyl-6-[6-[2-(thian-2-yl)ethyl]thian-2-yl]hexan-1-ol
CID 141186598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thian-2-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(thian-2-yl)propan-2-amine (CID 84654748) is 2-methyl-1-(thian-2-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(thian-2-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(thian-2-yl)propan-2-amine is CC(C)(N)CC1CCCCS1.
What is the InChIKey of 2-methyl-1-(thian-2-yl)propan-2-amine?
The InChIKey is WOHSMRITNBQPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,10)7-8-5-3-4-6-11-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(thian-2-yl)propan-2-amine?
2-methyl-1-(thian-2-yl)propan-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thian-2-yl)propan-2-amine is sourced from PubChem (CID 84654748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).